SCHEMBL530191

SCHEMBL530191

Cc1nc(=O)[nH]c2ccccc12

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.58
KDM4E B2RXH2 5/20 0.58
HSD17B10 Q99714 3/20 0.58
HPGD P15428 2/20 0.58
TSHR P16473 1/20 0.58
CYP1A2 P05177 4/20 0.50
LMNA P02545 3/20 0.50
TNKS2 Q9H2K2 2/20 0.50
ADORA3 P0DMS8 2/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
CYP2C19 P33261 1/20 0.50
DAO P14920 1/20 0.50
DDO Q99489 1/20 0.50
TNKS O95271 1/20 0.50
PARP1 P09874 1/20 0.50
GPR3 P46089 1/20 0.50
BLM P54132 1/20 0.50
PMP22 Q01453 1/20 0.50
PARP15 Q460N3 1/20 0.50

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
SCHEMBL30293081 1.00 ALDH1A1 (0.58) ALDH1A1KDM4EHSD17B10HPGDTSHR
Acetic Acid SCHEMBL6510410 0.90 KDM4E (0.53) ALDH1A1KDM4EHSD17B10HPGDTSHR
SCHEMBL30095710 0.87 ALDH1A1 (0.53) ALDH1A1KDM4EHSD17B10HPGDTSHR
SCHEMBL27527528 0.78 ALDH1A1 (0.48) ALDH1A1KDM4EHSD17B10HPGDTSHR
SCHEMBL6818663 0.77 PARP1 (0.52) ALDH1A1KDM4EHSD17B10HPGDCYP1A2
SCHEMBL6908303 0.77 ALDH1A1 (0.53) ALDH1A1KDM4EHSD17B10HPGDTSHR
SCHEMBL6764919 0.77 TYMS (0.50) ALDH1A1KDM4EHSD17B10HPGDTSHR
SCHEMBL3139711 0.76 KDM4E (0.58) ALDH1A1KDM4EHSD17B10HPGDTSHR
SCHEMBL196018 0.76 KDM4E (0.58) ALDH1A1KDM4EHSD17B10HPGDTSHR
SCHEMBL6099088 0.76 KDM4E (0.58) ALDH1A1KDM4EHSD17B10HPGDTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111849001-A Preparation method of waterproof total heat exchange paper 绍兴百立盛新材料科技有限公司 2020-10-30 CN claimed
EP-2298769-B1 Xanthin derivatives, their production and utilisation as medicine BOEHRINGER INGELHEIM PHARMA (DE) 2013-10-30 EP claimed
US-20130165428-A1 XANTHINE DERIVATIVES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2013-06-27 US claimed
US-20120252782-A1 Xanthine Derivatives, the Preparation Thereof and Their Use as Pharmaceutical Compositions BOEHRINGER INGELHEIM PHARMA GMBH AND CO. KG (DE) 2012-10-04 US claimed
US-20120035158-A1 Xanthine Derivatives, the Preparation Thereof and Their Use as Pharmaceutical Compositions BOEHRINGER INGELHEIM PHARMA GMBH AND CO. KG (DE) 2012-02-09 US claimed
US-20110144083-A1 Xanthine Derivatives, the Preparation Thereof and Their Use as Pharmaceutical Compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-06-16 US claimed
US-20100173916-A1 Xanthine Derivatives, the Preparation Thereof and Their Use as Pharmaceutical Compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-07-08 US claimed
EP-1757606-B1 Xanthinderivatives for use as medical agents and the preparation thereof BOEHRINGER INGELHEIM PHARMA (DE) 2009-05-06 EP claimed
EP-1368349-B1 XANTHINE DERIVATIVE, PRODUCTION AND USE THEREOF AS A MEDICAMENT BOEHRINGER INGELHEIM PHARMA (DE) 2007-02-14 EP claimed
US-20060205711-A1 Xanthine derivatives, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2006-09-14 US claimed
WO-2005037839-A1 NORCANTHARIDIN DERIVATIVE COMPOUNDS, METHOD FOR THE PRODUCTION THEREOF, COMPOSITIONS CONTAINING SAID COMPOUNDS AND THE USE THEREOF ENTOMED (FR) 2005-04-28 WO claimed
US-20040077645-A1 Dipeptidyl aminopeptidase inhibitors; diabetes mellitus, arthritis, obesity, allograft transplantation and osteoporosis treatment BOEHRINGER INGELHEIM PHARMA GMBH & CO KG (DE) 2004-04-22 US claimed
EP-3840748-B1 SUBSTITUTED IMIDAZOLES FOR THE INHIBITION OF TGF-BETA AND METHODS OF TREATMENT CLAVIUS PHARMACEUTICALS LLC (US) 2026-04-15 EP disclosed
CN-118791472-A Novel methyl quinazolinone derivatives 豪夫迈·罗氏有限公司 2024-10-18 CN disclosed
CN-118791472-A Novel methyl quinazolinone derivatives 豪夫迈·罗氏有限公司 2024-10-18 CN disclosed
US-12077548-B2 Substituted imidazoles for the inhibition of TGF-β and methods of treatment Clavius Pharmaceuticals, LLC. (US) 2024-09-03 US disclosed
US-4546075-A TETRAZOLE, BENZOTHIAZOLE, BENZOXAZOLE, OR BENZIMIDAZOLE COMPOUNDS FUJI PHOTO FILM CO., LTD. (JP) 1985-10-08 US disclosed
US-4452885-A USING THRIHALOMETHYL-3,4-OXADIAZOLES AS ANTIFOGGING AGENTS FUJI PHOTO FILM CO., LTD. (JP) 1984-06-05 US disclosed
EP-0107398-A1 Ortho substituted dihydroxy-2(1H)quinazolinone-1-alkanoic acids ORTHO PHARMACEUTICAL CORPORATION (US) 1984-05-02 EP disclosed
US-4291120-A VINYLPHENOL POLYMER AS ADHESION IMPROVER FUJI PHOTO FILM CO., LTD. (JP) 1981-09-22 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 (8 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-12077548-B2 Substituted imidazoles for the inhibition of TGF-β and methods of treatment TGFB1, TGFBR1, TGFB2 ALDH1A1 2900/4885KDM4E 1077/4885HSD17B10 2759/4885
US-20110144083-A1 Xanthine Derivatives, the Preparation Thereof and Their Use as Pharmaceutical Compositions DPP4, DPP3, DPP7 ALDH1A1 238/4885KDM4E 1166/4885HSD17B10 1124/4885
US-20130165428-A1 XANTHINE DERIVATIVES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS DPP4, DPP3, DPP7 ALDH1A1 238/4885KDM4E 1166/4885HSD17B10 1124/4885
US-20100173916-A1 Xanthine Derivatives, the Preparation Thereof and Their Use as Pharmaceutical Compositions DPP4, DPP3, DPP7 ALDH1A1 238/4885KDM4E 1166/4885HSD17B10 1124/4885
US-20060205711-A1 Xanthine derivatives, the preparation thereof and their use as pharmaceutical compositions DPP4, DPP3, DPP7 ALDH1A1 238/4885KDM4E 1166/4885HSD17B10 1124/4885
US-20120035158-A1 Xanthine Derivatives, the Preparation Thereof and Their Use as Pharmaceutical Compositions DPP4, DPP3, DPP7 ALDH1A1 238/4885KDM4E 1166/4885HSD17B10 1124/4885
US-20120252782-A1 Xanthine Derivatives, the Preparation Thereof and Their Use as Pharmaceutical Compositions DPP4, DPP3, DPP7 ALDH1A1 238/4885KDM4E 1166/4885HSD17B10 1124/4885
US-20040077645-A1 Dipeptidyl aminopeptidase inhibitors; diabetes mellitus, arthritis, obesity, allograft transplantation and osteoporosis treatment DPP4, DPP3, DPP7 ALDH1A1 178/4885KDM4E 933/4885HSD17B10 897/4885

“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.