SCHEMBL1003549

SCHEMBL1003549

Cc1ccc2[nH]c(=O)ccc2c1N

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 8/20 0.49
PDE3A Q14432 8/20 0.49
LMNA P02545 2/20 0.44
TNKS2 Q9H2K2 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C19 P33261 1/20 0.44
CA12 O43570 1/20 0.43
CA9 Q16790 1/20 0.43
KDM4E B2RXH2 5/20 0.42
ALDH1A1 P00352 4/20 0.42
GAA P10253 4/20 0.42
HPGD P15428 4/20 0.42
HSD17B10 Q99714 3/20 0.42
GLA P06280 2/20 0.42
MAPT P10636 1/20 0.42
TSHR P16473 1/20 0.42
TP53 P04637 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
POLB P06746 1/20 0.39
ADORA1 P30542 1/20 0.38

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
SCHEMBL2956384 0.80 PDE3B (0.52) PDE3BPDE3ALMNATNKS2CYP1A2
SCHEMBL1262197 0.77 PDE3B (0.41) PDE3BPDE3ALMNACA12CA9
SCHEMBL9860511 0.77 PDE3B (0.49) PDE3BPDE3ALMNAKDM4EALDH1A1
SCHEMBL3138208 0.77 PDE3B (0.49) PDE3BPDE3ALMNATNKS2CYP1A2
SCHEMBL22199011 0.76 KDM4E (0.46) LMNATNKS2CYP1A2CYP2C19KDM4E
SCHEMBL13524439 0.74 CYP19A1 (0.47) PDE3BPDE3ALMNATNKS2CYP1A2
SCHEMBL3537387 0.73 ALDH1A1 (0.49) PDE3BPDE3ALMNATNKS2CYP1A2
SCHEMBL433885 0.72 TNKS2 (0.62) PDE3BPDE3ALMNATNKS2CYP1A2
SCHEMBL30662151 0.71 ALDH1A1 (0.58) LMNACYP1A2KDM4EALDH1A1GAA
SCHEMBL833342 0.71 ALDH1A1 (0.58) LMNACYP1A2KDM4EALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8435990-B2 Dihydropyrimidone amides as P2X7 modulators ROCHE PALO ALTO LLC (US) 2013-05-07 US disclosed
US-20110028502-A1 DIHYDROPYRIMIDONE AMIDES AS P2X7 MODULATORS BROTHERTON-PLEISS CHRISTINE E 2011-02-03 US disclosed
US-7868021-B2 Antimicrobial quinolones, their compositions and uses WARNER CHILCOTT COMPANY, LLC (US) 2011-01-11 US disclosed
US-7662821-B2 improved selectivity and pharmacokinetic properties; 6-Fluoro-1-[(1 H-indazol-4-yl)amino]-4,4-dimethyl-2-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalene-2,5-diol; cyclization of imines BAYER SCHERING PHARMA AG (DE) 2010-02-16 US disclosed
US-7659297-B2 improved selectivity and pharmacokinetic properties; 6-Fluoro-1-[(1 H-indazol-4-yl)amino]-4,4-dimethyl-2-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalene-2,5-diol; cyclization of imines Bayer Schering Pharma, AG (DE) 2010-02-09 US disclosed
US-7638515-B2 improved selectivity and pharmacokinetic properties; 6-Fluoro-1-[(1 H-indazol-4-yl)amino]-4,4-dimethyl-2-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalene-2,5-diol; cyclization of imines BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-12-29 US disclosed
US-20090111851-A1 Antimicrobial Quinolones, Their Compositions and Uses WARNER CHILCOTT COMPANY, LLC 2009-04-30 US disclosed
EP-1015445-B1 ANTIMICROBIAL QUINOLONES, THEIR COMPOSITIONS AND USES PROCTER & GAMBLE (US) 2009-02-25 EP disclosed
US-7482454-B2 Antimicrobial quinolones, their compositions, and uses THE PROCTER & GAMBLE COMPANY (US) 2009-01-27 US disclosed
EP-1670458-B1 1-AMINO-2-OXY-SUBSTITUTED TETRAHYDRONAPHTALENE DERIVATIVES, METHODS FOR THE PRODUCTION THEREOF, AND THEIR USE AS ANTIPHLOGISTICS SCHERING AG (DE) 2006-12-20 EP disclosed
US-20030008894-A1 Antimicrobial quinolones, their compositions and uses THE PROCTER & GAMBLE COMPANY 2003-01-09 US disclosed
US-20020173501-A1 Antimicrobial quinolones, their compositions and uses THE PROCTER & GAMBLE COMPANY 2002-11-21 US disclosed
WO-2002048138-A1 ANTIMICROBIAL QUINOLONES THE PROCTER & GAMBLE COMPANY (US) 2002-06-20 WO disclosed
WO-2002048143-A2 ANTIMICROBIAL 2-PYRIDONES, THEIR COMPOSITIONS AND USES THE PROCTER & GAMBLE COMPANY (US) 2002-06-20 WO disclosed
US-6387928-B1 BACTERICIDES; SIDE EFFECT REDUCTION THE PROCTER & GAMBLE CO. 2002-05-14 US disclosed
US-20020049192-A1 Antimicrobial quinolones, their compositions and uses THE PROCTER & GAMBLE COMPANY 2002-04-25 US disclosed
US-6329391-B1 ANTIBIOTICS, BACTERICIDES USING QUINOLONES THE PROCTER & GAMBLE CO. 2001-12-11 US disclosed
CN-1278813-A Antimicrobial quinolones, their compositions and uses PROCTER & GAMBLE (US) 2001-01-03 CN disclosed
EP-1015445-A1 ANTIMICROBIAL QUINOLONES, THEIR COMPOSITIONS AND USES THE PROCTER & GAMBLE COMPANY (US) 2000-07-05 EP disclosed
WO-1999014214-A1 ANTIMICROBIAL QUINOLONES, THEIR COMPOSITIONS AND USES THE PROCTER & GAMBLE COMPANY (US) 1999-03-25 WO 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-20020049192-A1 Antimicrobial quinolones, their compositions and uses QARS1, TOP1, TOP2A PDE3B 2048/4885PDE3A 1792/4885LMNA 1507/4885
US-20090111851-A1 Antimicrobial Quinolones, Their Compositions and Uses QARS1, NQO2, TOP2A PDE3B 1728/4885PDE3A 1623/4885LMNA 1461/4885
US-20110028502-A1 DIHYDROPYRIMIDONE AMIDES AS P2X7 MODULATORS P2RY1, P2RX7, P2RX3 PDE3B 1350/4885PDE3A 1401/4885LMNA 2432/4885
US-20020173501-A1 Antimicrobial quinolones, their compositions and uses QARS1, TOP1, TOP2A PDE3B 2048/4885PDE3A 1792/4885LMNA 1507/4885
US-20030008894-A1 Antimicrobial quinolones, their compositions and uses QARS1, NQO2, Q6ZSR9 PDE3B 1417/4885PDE3A 1310/4885LMNA 1448/4885

“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.