Sugi Predict

Sugi Predict / Compounds / SCHEMBL975064

SCHEMBL975064

SCHEMBL975064

COC(=O)c1cc(C)nn1C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 4/20 0.47
▸ GAA P10253 4/20 0.45
▸ CA12 O43570 1/20 0.43
▸ CA1 P00915 1/20 0.43
▸ CA2 P00918 1/20 0.43
▸ CA9 Q16790 1/20 0.43
▸ ALDH1A1 P00352 5/20 0.42
▸ CYP1A2 P05177 2/20 0.42
▸ CYP3A4 P08684 2/20 0.42
▸ CYP2D6 P10635 2/20 0.42
▸ CYP2C19 P33261 2/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ RAB9A P51151 2/20 0.42
▸ TAS2R8 Q9NYW2 1/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ LMNA P02545 3/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ L3MBTL1 Q9Y468 2/20 0.39
▸ ATM Q13315 2/20 0.39

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
SCHEMBL1894879 0.81 LMNA (0.52) SMN1; SMN2CA12CA1CA2CA9
SCHEMBL28285919 0.81 SMN1; SMN2 (0.41) SMN1; SMN2GAAALDH1A1CYP1A2CYP3A4
SCHEMBL286134 0.81 CA12 (0.43) SMN1; SMN2GAACA12CA1CA2
SCHEMBL69696 0.81 MEN1 (0.44) SMN1; SMN2CA12CA1CA2CA9
SCHEMBL27815924 0.80 ALDH1A1 (0.42) SMN1; SMN2GAAALDH1A1CYP1A2CYP3A4
SCHEMBL27637077 0.79 SMN1; SMN2 (0.48) SMN1; SMN2GAAALDH1A1CYP1A2CYP3A4
SCHEMBL286598 0.79 CA12 (0.42) SMN1; SMN2GAACA12CA1CA2
SCHEMBL2512844 0.79 ALDH1A1 (0.47) SMN1; SMN2CA12CA1CA2CA9
SCHEMBL22290279 0.79 CA12 (0.45) SMN1; SMN2CA12CA1CA2CA9
SCHEMBL1915343 0.79 CA12 (0.42) SMN1; SMN2GAACA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-1168675-A — — None — — JP disclosed
US-20240239774-A1 SOLUBLE ADENYLYL CYCLASE (SAC) INHIBITORS AND USES THEREOF CORNELL UNIVERSITY (US) 2024-07-18 — — US disclosed
US-11820773-B2 Tricyclic compounds ALIGOS THERAPEUTICS, INC. (US) 2023-11-21 — — US disclosed
CN-111362967-B Benzoxadiazatetetradecene derivatives and use thereof 南京雷正医药科技有限公司 2021-09-07 — — CN disclosed
CN-111362967-A Benzoxadiazatetetradecene derivatives and use thereof 南京雷正医药科技有限公司 2020-07-03 — — CN disclosed
US-9226505-B2 4-substituted 1-phenylpyrazole-3-carboxylic acid derivatives as agents against abiotic plant stress BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-01-05 — — US disclosed
US-9216973-B2 Insecticidal compounds SYNGENTA PARTICIPATIONS AG (CH) 2015-12-22 — — US disclosed
US-9216973-B2 Insecticidal compounds SYNGENTA PARTICIPATIONS AG (CH) 2015-12-22 — — US disclosed
US-9216973-B2 Insecticidal compounds SYNGENTA PARTICIPATIONS AG (CH) 2015-12-22 — — US disclosed
WO-2015050989-A2 MACROCYCLIC COMPOUNDS FOR THE TREATMENT OF PROLIFERATIVE DISEASES CS THERAPEUTICS INC. (US) 2015-04-09 — — WO disclosed
US-20110015065-A1 Substituted Sulfonic Acid Amide Compounds BASF SE (DE) 2011-01-20 — — US disclosed
EP-2252590-A1 SUBSTITUTED SULFONIC ACID AMIDE COMPOUNDS BASF SE (DE) 2010-11-24 — — EP disclosed
WO-2010020522-A1 INSECTICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2010-02-25 — — WO disclosed
WO-2010020522-A1 INSECTICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2010-02-25 — — WO disclosed
US-20090286791-A1 Amide Compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-11-19 — — US disclosed
WO-2009101082-A1 SUBSTITUTED SULFONIC ACID AMIDE COMPOUNDS BASF SE (DE) 2009-08-20 — — WO disclosed
US-20080207616-A1 Quinoxalines as B Baf Inhhibitors ASTRAZENECA AB (SE) 2008-08-28 — — US disclosed
CN-101094836-A Methods of making indazole compounds AGOURON PHARMA (US) 2007-12-26 — — CN disclosed
EP-0372470-A2 Novel alpha-cyano-beta-oxopropionamides CIBA-GEIGY AG (CH) 1990-06-13 — — EP disclosed
JP-H01168675-A PRODUCTION OF 1,3-DIALKYLPYRAZOLE-5-CARBOXYLIC ACID ESTERS MITSUI TOATSU CHEM INC 1989-07-04 — — JP 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 (5 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-20110015065-A1 Substituted Sulfonic Acid Amide Compounds STS, NAPA, NAAA SMN1; SMN2 3963/4885GAA 780/4885CA12 1436/4885
US-20090286791-A1 Amide Compounds DLAT, DGAT2, DGAT1 SMN1; SMN2 2456/4885GAA 137/4885CA12 4461/4885
US-20240239774-A1 SOLUBLE ADENYLYL CYCLASE (SAC) INHIBITORS AND USES THEREOF UACA, ADCYAP1R1, ADCY1 SMN1; SMN2 4377/4885GAA 673/4885CA12 2937/4885
US-11820773-B2 Tricyclic compounds SLC10A1, PKD1, CEL SMN1; SMN2 1114/4885GAA 85/4885CA12 684/4885
US-20080207616-A1 Quinoxalines as B Baf Inhhibitors BRAF, NRAS, ARAF SMN1; SMN2 4408/4885GAA 466/4885CA12 4307/4885

“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.