SCHEMBL820768

SCHEMBL820768

Cc1nnsc1C(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.35
ALDH1A1 P00352 5/20 0.33
GAA P10253 1/20 0.33
AGTR1 P30556 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
LMNA P02545 1/20 0.32
MEN1 O00255 1/20 0.30
NR2F2 P24468 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL21720492 0.72
SCHEMBL21720117 0.72
SCHEMBL9563995 0.72
SCHEMBL21718706 0.72
SCHEMBL21720321 0.72
SCHEMBL24191338 0.72 TDO2 (0.34)
SCHEMBL21720485 0.69
SCHEMBL26507954 0.69
SCHEMBL24498584 0.69
SCHEMBL25111071 0.66

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 52 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11786528-B2 Pyrazolopyrimidine compounds as adenosine receptor antagonists EXSCIENTIA LTD. (GB) 2023-10-17 US disclosed
US-11786528-B2 Pyrazolopyrimidine compounds as adenosine receptor antagonists EXSCIENTIA LTD. (GB) 2023-10-17 US disclosed
US-11771738-B2 Endoparasitic depsipeptides ZOETIS SERVICES LLC (US) 2023-10-03 US disclosed
WO-2022235699-A2 POTENT ASGPR-BINDING COMPOUNDS FOR THE DEGRADATION OF IMMUNOGLOBULINS AND OTHER PROTEINS AVILAR THERAPEUTICS, INC. (US) 2022-11-10 WO disclosed
US-11178870-B2 Pyridone compounds and agricultural and horticultural fungicides containing the same as active ingredients MITSUI CHEMICALS AGRO, INC. (JP) 2021-11-23 US disclosed
US-11051513-B2 Pyridone compounds and agricultural and horticultural fungicides containing the same as active ingredients MITSUI CHEMICALS AGRO, INC. (JP) 2021-07-06 US disclosed
US-20200247785-A1 IL-17 Ligands And Uses Thereof DICE MOLECULES SV, INC. 2020-08-06 US disclosed
US-20200045968-A1 PYRIDONE COMPOUNDS AND AGRICULTURAL AND HORTICULTURAL FUNGICIDES CONTAINING THE SAME AS ACTIVE INGREDIENTS MITSUI CHEMICALS AGRO, INC. (JP) 2020-02-13 US disclosed
US-20180153859-A1 METHODS OF TREATING OR PREVENTING COGNITIVE IMPAIRMENT USING INDANE ACETIC ACID DERIVATIVES BASED ON APOE4 GENOTYPE T3D THERAPEUTICS, INC. (US) 2018-06-07 US disclosed
US-20180153859-A1 METHODS OF TREATING OR PREVENTING COGNITIVE IMPAIRMENT USING INDANE ACETIC ACID DERIVATIVES BASED ON APOE4 GENOTYPE T3D THERAPEUTICS, INC. (US) 2018-06-07 US disclosed
US-20110288078-A1 PYRAZINOPYRAZINES AND DERIVATIVES AS KINASE INHIBITORS ARIAD PHARMACEUTICALS, INC. (US) 2011-11-24 US disclosed
US-20110152330-A1 INDANE ACETIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICAL AGENTS, INTERMEDIATES, AND METHOD OF PREPARATION LOWE DEREK B 2011-06-23 US disclosed
US-20110152331-A1 INDANE ACETIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICAL AGENTS, INTERMEDIATES, AND METHOD OF PREPARATION LOWE DEREK B 2011-06-23 US disclosed
US-20110065129-A1 INDANE ACETIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICAL AGENTS, INTERMEDIATES, AND METHOD OF PREPARATION LOWE DEREK B 2011-03-17 US disclosed
US-7871982-B2 Lincomycin derivatives and antimicrobial agents comprising the same as active ingredient MEIJI SEIKA KAISHA, LTD. (JP) 2011-01-18 US disclosed
US-20090156512-A1 potent activity against resistant pneumococci MEIJI SEIKA KAISHA, LTD. (JP) 2009-06-18 US disclosed
US-20090047687-A1 Indane Acetic Acid Derivatives and Their Use as Pharmaceutical Agents, Intermediates, and Method of Preparation LOWE DEREK B 2009-02-19 US disclosed
US-20080312435-A1 Imine Compound TAISHO PHARMACEUTICAL CO., LTD. (JP) 2008-12-18 US disclosed
US-7358386-B2 Indane acetic acid derivatives and their use as pharmaceutical agents, intermediates, and method of preparation BAYER PHARMACEUTICALS CORPORATION (US) 2008-04-15 US disclosed
US-20070054884-A1 4-SUBSTITUTED 2-ARYLOXYPHENOL DERIVATIVES AS ANTIBACTERIAL AGENTS EMERGENT PRODUCT DEVELOPMENT GAITHERSBURG INC. 2007-03-08 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (15 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110152331-A1 INDANE ACETIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICAL AGENTS, INTERMEDIATES, AND METHOD OF PREPARATION INSR, ACACA, IAPP KMT2A 1951/4885ALDH1A1 51/4885GAA 153/4885
US-20080312435-A1 Imine Compound CNR1, CNR2, HRH4 KMT2A 2604/4885ALDH1A1 2674/4885GAA 4866/4885
US-11786528-B2 Pyrazolopyrimidine compounds as adenosine receptor antagonists ADORA1, ADORA3, ADORA2A KMT2A 2200/4885ALDH1A1 849/4885GAA 3108/4885
US-20110152330-A1 INDANE ACETIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICAL AGENTS, INTERMEDIATES, AND METHOD OF PREPARATION INSR, ACACA, IAPP KMT2A 1951/4885ALDH1A1 51/4885GAA 153/4885
US-20180153859-A1 METHODS OF TREATING OR PREVENTING COGNITIVE IMPAIRMENT USING INDANE ACETIC ACID DERIVATIVES BASED ON APOE4 GENOTYPE CHRNA2, ACACA, CHAT KMT2A 1544/4885ALDH1A1 164/4885GAA 858/4885
US-11178870-B2 Pyridone compounds and agricultural and horticultural fungicides containing the same as active ingredients PNPO, CYP4X1, PDXK KMT2A 1335/4885ALDH1A1 894/4885GAA 1772/4885
US-20200247785-A1 IL-17 Ligands And Uses Thereof IL17A, IL2, IL15 KMT2A 4343/4885ALDH1A1 951/4885GAA 3445/4885
US-11051513-B2 Pyridone compounds and agricultural and horticultural fungicides containing the same as active ingredients PNPO, PDXK, CBR3 KMT2A 1617/4885ALDH1A1 1164/4885GAA 3726/4885
US-20090156512-A1 potent activity against resistant pneumococci H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, NAT1, NPM1 KMT2A 2133/4885ALDH1A1 2976/4885GAA 3927/4885
US-11771738-B2 Endoparasitic depsipeptides VIP, PREP, VIPR1 KMT2A 3734/4885ALDH1A1 2109/4885GAA 729/4885
US-20200045968-A1 PYRIDONE COMPOUNDS AND AGRICULTURAL AND HORTICULTURAL FUNGICIDES CONTAINING THE SAME AS ACTIVE INGREDIENTS PNPO, CYP4X1, PDXK KMT2A 1335/4885ALDH1A1 894/4885GAA 1772/4885
US-20110065129-A1 INDANE ACETIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICAL AGENTS, INTERMEDIATES, AND METHOD OF PREPARATION INSR, ACACA, IAPP KMT2A 1951/4885ALDH1A1 51/4885GAA 153/4885
US-20090047687-A1 Indane Acetic Acid Derivatives and Their Use as Pharmaceutical Agents, Intermediates, and Method of Preparation INSR, ACACA, IAPP KMT2A 1951/4885ALDH1A1 51/4885GAA 153/4885
US-20070054884-A1 4-SUBSTITUTED 2-ARYLOXYPHENOL DERIVATIVES AS ANTIBACTERIAL AGENTS CLPP, TYR, MRPL21 KMT2A 4142/4885ALDH1A1 1511/4885GAA 1009/4885
US-20110288078-A1 PYRAZINOPYRAZINES AND DERIVATIVES AS KINASE INHIBITORS MAP3K5, MAP3K15, MAP4K2 KMT2A 1177/4885ALDH1A1 3173/4885GAA 3246/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.