SCHEMBL1809581

SCHEMBL1809581

Cn1ccc(=O)c2ccccc21

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.59
MAPT P10636 3/20 0.59
KDM4E B2RXH2 1/20 0.59
RXFP1 Q9HBX9 1/20 0.59
NQO2 P16083 1/20 0.57
PTPN1 P18031 2/20 0.46
HPGD P15428 1/20 0.46
IMPDH2 P12268 1/20 0.46
CCNE2 O96020 1/20 0.44
CDK4 P11802 1/20 0.44
CCND1 P24385 1/20 0.44
CCNE1 P24864 1/20 0.44
CDK2 P24941 1/20 0.44
GPR3 P46089 1/20 0.44
ERCC1 P07992 1/20 0.44
FEN1 P39748 1/20 0.44
ERCC4 Q92889 1/20 0.44
GPR84 Q9NQS5 1/20 0.44
KMT2A Q03164 2/20 0.43
CCNT1 O60563 1/20 0.43

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
SCHEMBL29576413 1.00 ALDH1A1 (0.59) ALDH1A1MAPTKDM4ERXFP1NQO2
Hydrochloric Acid SCHEMBL29744398 0.98 ALDH1A1 (0.57) ALDH1A1MAPTKDM4ERXFP1NQO2
Iodide SCHEMBL27839552 0.98 ALDH1A1 (0.57) ALDH1A1MAPTKDM4ERXFP1NQO2
SCHEMBL16463000 0.77 BIRC5 (0.42) ALDH1A1MAPTKDM4ERXFP1NQO2
SCHEMBL19810738 0.76 MAPK1 (0.40) ALDH1A1KDM4ENQO2HPGDGPR3
SCHEMBL8579432 0.76 MAPK1 (0.40) ALDH1A1KDM4ENQO2HPGDGPR3
SCHEMBL8653902 0.75 PDE5A (0.47) ALDH1A1KDM4E
SCHEMBL5810173 0.74 SMN1; SMN2 (0.39) ALDH1A1KDM4ENQO2HPGDGPR3
SCHEMBL6667748 0.74 ERCC1 (0.44) ALDH1A1KDM4EHPGDERCC1FEN1
SCHEMBL9522423 0.74 MAPT (1.00) ALDH1A1MAPTKDM4ERXFP1NQO2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3414229-A1 QUINOLINONE LYSYL OXIDASE-LIKE 2 INHIBITORS AND USES THEREOF Pharmakea, Inc. (US) 2018-12-19 EP claimed
WO-2017139274-A1 QUINOLINONE LYSYL OXIDASE-LIKE 2 INHIBITORS AND USES THEREOF PHARMAKEA, INC. (US) 2017-08-17 WO claimed
EP-2734514-B1 USE OF A THIOPHENE COMPOUND AS A MATRIX IN THE SPECIFIC DETECTION, IDENTIFICATION AND/OR QUANTIFICATION OF ALKALOIDS BY MALDI-TOF MASS SPECTROMETRY UNIV ANGERS (FR) 2015-07-08 EP claimed
US-9051296-B2 Aryl carboxamide derivatives as TTX-S blockers RAQUALIA PHARMA INC. (JP) 2015-06-09 US claimed
US-20140319331-A1 NEW USE FOR A COMPOUND AS A MATRIX IN THE SPECIFIC DETECTION, IDENTIFICATION AND/OR QUANTIFICATION OF ALKALOIDS BY MALDI-TOF MASS SPECTROMETRY CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE CNRS (FR) 2014-10-30 US claimed
US-20120232052-A1 ARYL CARBOXAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2012-09-13 US claimed
WO-2011058766-A1 ARYL CARBOXAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2011-05-19 WO claimed
EP-1434585-A1 ALKYNE MATRIX METALLOPROTEINASE INHIBITORS Warner-Lambert Company LLC (US) 2004-07-07 EP claimed
WO-2003032999-A1 ALKYNE MATRIX METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2003-04-24 WO claimed
US-12344606-B2 Next-generation modulators of stimulator of interferon genes (STING) Ryvu Therapeutics S.A. (PL) 2025-07-01 US disclosed
CN-117137977-A Preparation method of lactation-promoting traditional Chinese medicine composition for sows 北京中农劲腾生物制药股份有限公司 2023-12-01 CN disclosed
US-20230382910-A1 HETEROARYL COMPOUNDS FOR THE TREATMENT OF PAIN VERTEX PHARMACEUTICALS INCORPORATED 2023-11-30 US disclosed
US-20220251082-A1 NEXT-GENERATION MODULATORS OF STIMULATOR OF INTERFERON GENES (STING) Ryvu Therapeutics S.A. (PL) 2022-08-11 US disclosed
US-20220127266-A1 MALIC ENZYME INHIBITORS SUN PHARMA ADVANCED RESEARCH COMPANY LTD (IN) 2022-04-28 US disclosed
US-4772614-A QUINOLINOLS THE BOOTS COMPANY (GB) 1988-09-20 US disclosed
EP-0282365-A1 1-Dethia-2-thia-cephalosporanic-acid derivatives, process for their preparation, their use as therapeutic agents and pharmaceutical compositions containing them ROUSSEL-UCLAF (FR) 1988-09-14 EP disclosed
CN-86104611-A The preparation method of therapeutical agent 1988-01-27 CN disclosed
EP-0206616-A2 Quinolones having antihypertensive activity The Boots Company PLC (GB) 1986-12-30 EP disclosed
US-4443465-A Aldose reductase inhibitory pyrrole derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1984-04-17 US disclosed
EP-0065393-A1 Pyrrole derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1982-11-24 EP 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 (6 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-20220251082-A1 NEXT-GENERATION MODULATORS OF STIMULATOR OF INTERFERON GENES (STING) STING1, IRF3, CGAS ALDH1A1 4562/4885MAPT 1537/4885KDM4E 4160/4885
US-12344606-B2 Next-generation modulators of stimulator of interferon genes (STING) STING1, IRF3, CGAS ALDH1A1 4562/4885MAPT 1537/4885KDM4E 4160/4885
US-20140319331-A1 NEW USE FOR A COMPOUND AS A MATRIX IN THE SPECIFIC DETECTION, IDENTIFICATION AND/OR QUANTIFICATION OF ALKALOIDS BY MALDI-TOF MASS SPECTROMETRY CIAPIN1, SRMS, MMP7 ALDH1A1 3584/4885MAPT 1270/4885KDM4E 4147/4885
US-20220127266-A1 MALIC ENZYME INHIBITORS ME1, ME2, ME3 ALDH1A1 144/4885MAPT 2817/4885KDM4E 1301/4885
US-20230382910-A1 HETEROARYL COMPOUNDS FOR THE TREATMENT OF PAIN TRPV1, SCN3A, KCNN3 ALDH1A1 1762/4885MAPT 2089/4885KDM4E 4346/4885
US-20120232052-A1 ARYL CARBOXAMIDE DERIVATIVES AS TTX-S BLOCKERS SCN1B, SCN1A, SCN2B ALDH1A1 787/4885MAPT 4090/4885KDM4E 1141/4885

“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.