SCHEMBL372349

SCHEMBL372349

OC(O)c1cnc2ccccc2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.52
MGAM O43451 1/20 0.50
PDGFRB P09619 3/20 0.46
PDGFRA P16234 3/20 0.46
NQO1 P15559 1/20 0.46
ALDH1A1 P00352 3/20 0.45
NPSR1 Q6W5P4 1/20 0.45
RAB9A P51151 1/20 0.44
CYP2A6 P11509 1/20 0.43
GLA P06280 1/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
ACHE P22303 1/20 0.43
KDR P35968 1/20 0.42
ACP1 P24666 1/20 0.42
BIRC5 O15392 1/20 0.42
KDM4E B2RXH2 2/20 0.41
CHEK2 O96017 1/20 0.41
PIK3CD O00329 1/20 0.41
PIK3CA P42336 1/20 0.41

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
SCHEMBL27402285 0.85 CYP1A2 (0.48) CYP1A2MGAMPDGFRBPDGFRANQO1
SCHEMBL28014632 0.85 CYP1A2 (0.48) CYP1A2MGAMPDGFRBPDGFRANQO1
SCHEMBL4065530 0.85 CYP1A2 (0.48) CYP1A2MGAMPDGFRBPDGFRANQO1
SCHEMBL6263374 0.85 CYP1A2 (0.53) CYP1A2MGAMPDGFRBPDGFRANQO1
SCHEMBL19688524 0.85 CYP1A2 (0.53) CYP1A2MGAMPDGFRBPDGFRANQO1
SCHEMBL6664822 0.82 CYP3A4 (0.49) CYP1A2MGAMPDGFRBPDGFRANQO1
SCHEMBL9829481 0.80 CYP1A2 (0.49) CYP1A2MGAMPDGFRBPDGFRANQO1
SCHEMBL372069 0.80 CYP1A2 (0.44) CYP1A2MGAMPDGFRBPDGFRANQO1
SCHEMBL29800505 0.80 CYP1A2 (0.44) CYP1A2MGAMPDGFRBPDGFRANQO1
SCHEMBL30474837 0.80 CYP1A2 (0.52) CYP1A2MGAMPDGFRBPDGFRANQO1

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4724337-B2 2011-07-13 JP claimed
US-20060128962-A1 Preparation of quinoline-substituted carbonate and carbamate derivatives ALLEN MICHAEL S 2006-06-15 US claimed
US-20030199696-A1 Preparation of quinoline-substituted carbonate and carbamate derivatives ABBVIE INC. 2003-10-23 US claimed
JP-2003503388-A 2003-01-28 JP claimed
US-20020165390-A1 Preparation of quinoline-substituted carbonate and carbamate derivatives ABBVIE INC. 2002-11-07 US claimed
EP-1192139-A1 PREPARATION OF QUINOLINE-SUBSTITUTED CARBONATE AND CARBAMATE DERIVATIVES Abbott Laboratories (US) 2002-04-03 EP claimed
US-20020013468-A1 Preparation of quinoline-substituted carbonate and carbamate derivatives ABBVIE INC. 2002-01-31 US claimed
WO-2001000582-A1 PREPARATION OF QUINOLINE-SUBSTITUTED CARBONATE AND CARBAMATE DERIVATIVES ABBOTT LABORATORIES (US) 2001-01-04 WO claimed
EP-2409964-A2 Preparation of substituted carbonate and carbamate derivatives Abbott Laboratories (US) 2012-01-25 EP disclosed
EP-2261212-A2 Preparation of quinoline-substituted carbonate and carbamate derivatives Abbott Laboratories (US) 2010-12-15 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 (4 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-20060128962-A1 Preparation of quinoline-substituted carbonate and carbamate derivatives CA7, CA6, CA4 CYP1A2 47/4885MGAM 16/4885PDGFRB 4477/4885
US-20030199696-A1 Preparation of quinoline-substituted carbonate and carbamate derivatives CA7, CA6, CA4 CYP1A2 47/4885MGAM 16/4885PDGFRB 4477/4885
US-20020165390-A1 Preparation of quinoline-substituted carbonate and carbamate derivatives CA7, CA6, CA4 CYP1A2 47/4885MGAM 16/4885PDGFRB 4477/4885
US-20020013468-A1 Preparation of quinoline-substituted carbonate and carbamate derivatives CA7, CA6, CA4 CYP1A2 47/4885MGAM 16/4885PDGFRB 4477/4885

“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.