SCHEMBL10245713

SCHEMBL10245713

CC(C)(C)NCc1cccs1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.58
GAA P10253 2/20 0.51
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
POLB P06746 2/20 0.47
ALDH1A1 P00352 3/20 0.47
L3MBTL1 Q9Y468 2/20 0.46
HPGD P15428 2/20 0.46
LMNA P02545 2/20 0.45
MAPT P10636 1/20 0.45
ALOX12 P18054 1/20 0.45
USP2 O75604 1/20 0.44
KDM4E B2RXH2 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL10245372 0.80 TAAR1 (0.48) HTTGAAALDH1A1LMNAMAPT
SCHEMBL28885120 0.79 POLB (0.47) HTTGAAKMT2AMEN1POLB
SCHEMBL178423 0.76
SCHEMBL3159042 0.75 LMNA (0.68) KMT2AMEN1POLBALDH1A1L3MBTL1
Hydrochloric Acid SCHEMBL6121921 0.74
SCHEMBL9427413 0.73 KMT2A (0.43) HTTKMT2AMEN1POLBALDH1A1
Hydrochloric Acid SCHEMBL6122085 0.73 KMT2A (0.69) HTTKMT2AMEN1POLBALDH1A1
SCHEMBL13123453 0.73
SCHEMBL2719543 0.72
SCHEMBL1709286 0.72 POLB (0.62) HTTGAAKMT2AMEN1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11672800-B2 Combination therapies with EHMT2 inhibitors Epizyme, Inc. (US) 2023-06-13 US disclosed
US-20200039961-A1 SUBSTITUTED FUSED BI- OR TRI- HETEROCYCLIC COMPOUNDS AS EHMT2 INHIBITORS Epizyme, Inc. 2020-02-06 US disclosed
US-9914740-B2 Tricyclic pyrido-carboxamide derivatives as rock inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2018-03-13 US disclosed
US-9914740-B2 Tricyclic pyrido-carboxamide derivatives as rock inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2018-03-13 US disclosed
US-9527828-B2 Method for expanding hematopoietic stem cells using heterocyclic compound NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2016-12-27 US disclosed
US-9486422-B2 Small molecule inhibitors of Mcl-1 and the uses of thereof THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2016-11-08 US disclosed
US-20160152628-A1 TRICYCLIC PYRIDO-CARBOXAMIDE DERIVATIVES AS ROCK INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2016-06-02 US disclosed
US-9006243-B2 HIV inhibiting 6-substituted pyrimidines JANSSEN R&D IRELAND (IE) 2015-04-14 US disclosed
US-9006243-B2 HIV inhibiting 6-substituted pyrimidines JANSSEN R&D IRELAND (IE) 2015-04-14 US disclosed
US-8865708-B2 Methods and compositions for inhibition of the transitional endoplasmic reticulum ATPase CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2014-10-21 US disclosed
US-7642278-B2 Nitrogen compounds such as 3-(5-morpholin-4-yl-1H-benz-imidazol-2-yl)-1H-indazole and/or isomers, used as immunology modulators, antidiabetic agents, antiogenesis inhibitors or for prophylaxis of Alzheimer's disease NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2010-01-05 US disclosed
US-7642278-B2 Nitrogen compounds such as 3-(5-morpholin-4-yl-1H-benz-imidazol-2-yl)-1H-indazole and/or isomers, used as immunology modulators, antidiabetic agents, antiogenesis inhibitors or for prophylaxis of Alzheimer's disease NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2010-01-05 US disclosed
US-20090281292-A1 10a-Azalide Compound MEIJI SEIKA PHARMA CO., LTD. (JP) 2009-11-12 US disclosed
US-7504391-B2 Selective D1/D5 receptor antagonists for the treatment of obesity and CNS disorders SCHERING CORPORATION (US) 2009-03-17 US disclosed
US-20080306076-A1 MODULATION OF CHEMOSENSORY RECEPTORS AND LIGANDS ASSOCIATED THEREWITH SENOMYX, INC. (US) 2008-12-11 US disclosed
US-7326703-B2 (1,10B-Dihydro-2-(aminocarbonyl-phenyl)-5H-pyrazolo[1,5-c][1,3]benzoxazin-5-yl)phenyl methanone derivatives as HIV viral replication inhibitors TIBOTEC PHARMACEUTICALS LTD (IL) 2008-02-05 US disclosed
US-20070293511-A1 Crf Receptor Antagonists and Methods SB PHARMCO PUERTO RICO INC. AND NEUROCRINE BIOSCIENCES, INC., A CORPORATION 2007-12-20 US disclosed
US-20070248624-A1 (1,10B-Dihydro-2-(Aminocarbonyl-Phenyl)-5h-Pyrazolo[1,5-C][1,3]Benzoxazin-5-Yl)Phenyl Methanone Derivatives as Hiv Viral Replication Inhibitors JANSSEN SCIENCES IRELAND UC (IE) 2007-10-25 US disclosed
US-20070248624-A1 (1,10B-Dihydro-2-(Aminocarbonyl-Phenyl)-5h-Pyrazolo[1,5-C][1,3]Benzoxazin-5-Yl)Phenyl Methanone Derivatives as Hiv Viral Replication Inhibitors JANSSEN SCIENCES IRELAND UC (IE) 2007-10-25 US disclosed
US-4806562-A Substituted thieno[2,3-b]thiophene-2-sulfonamides as antiglaucoma agents MERCK & CO., INC. (US) 1989-02-21 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 (7 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-20160152628-A1 TRICYCLIC PYRIDO-CARBOXAMIDE DERIVATIVES AS ROCK INHIBITORS MYLK, MYLK2, ROCK1 HTT 4140/4885GAA 4502/4885KMT2A 1131/4885
US-20080306076-A1 MODULATION OF CHEMOSENSORY RECEPTORS AND LIGANDS ASSOCIATED THEREWITH OR51E2, TAS2R50, TAS2R30 HTT 4002/4885GAA 4767/4885KMT2A 4389/4885
US-20070293511-A1 Crf Receptor Antagonists and Methods CRHR1, CRHR2, CRH HTT 891/4885GAA 1986/4885KMT2A 2996/4885
US-20200039961-A1 SUBSTITUTED FUSED BI- OR TRI- HETEROCYCLIC COMPOUNDS AS EHMT2 INHIBITORS SHMT1, BHMT, EHMT2 HTT 189/4885GAA 529/4885KMT2A 27/4885
US-20070248624-A1 (1,10B-Dihydro-2-(Aminocarbonyl-Phenyl)-5h-Pyrazolo[1,5-C][1,3]Benzoxazin-5-Yl)Phenyl Methanone Derivatives as Hiv Viral Replication Inhibitors POLRMT, MAVS, DHX15 HTT 3555/4885GAA 1809/4885KMT2A 2814/4885
US-11672800-B2 Combination therapies with EHMT2 inhibitors EHMT2, BHMT, SHMT2 HTT 1041/4885GAA 2676/4885KMT2A 35/4885
US-20090281292-A1 10a-Azalide Compound IL17A, AZI2, HDAC9 HTT 868/4885GAA 551/4885KMT2A 939/4885

“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.