SCHEMBL4786591

SCHEMBL4786591

COc1ccc2c(c1)c(Nc1cccc(Cl)c1)nn2Cc1cccc(F)c1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FADS1 O60427 1/20 0.48
KDR P35968 1/20 0.45
EGFR P00533 4/20 0.43
ERBB2 P04626 2/20 0.43
CCR4 P51679 1/20 0.42
BUB1 O43683 2/20 0.41
KDM4C Q9H3R0 1/20 0.41
ABL1 P00519 1/20 0.41
CDK1 P06493 1/20 0.41
MAPT P10636 1/20 0.41
ABCG2 Q9UNQ0 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HSD17B10 Q99714 1/20 0.41
PLA2G2A P14555 2/20 0.41
ERBB3 P21860 1/20 0.40

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
SCHEMBL4785917 0.93 FADS1 (0.49) FADS1KDREGFRBUB1ABL1
SCHEMBL4813171 0.92 FADS1 (0.50) FADS1KDREGFRCCR4BUB1
SCHEMBL4785513 0.91 FADS1 (0.53) FADS1KDREGFRBUB1ABL1
SCHEMBL4785627 0.90 KDR (0.54) FADS1KDREGFRBUB1CDK1
SCHEMBL4742251 0.87 FADS1 (0.51) FADS1KDREGFRBUB1ABL1
SCHEMBL4787271 0.86 FADS1 (0.48) FADS1KDREGFRBUB1KDM4C
SCHEMBL4815101 0.85 FADS1 (0.48) FADS1KDREGFRBUB1ABL1
SCHEMBL4743304 0.83 FADS1 (0.48) FADS1KDREGFRBUB1ABL1
SCHEMBL4741728 0.83 FADS1 (0.55) FADS1KDREGFRABL1CDK1
SCHEMBL4786467 0.82 FADS1 (0.48) FADS1KDREGFRABL1CDK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008089307-A2 DELTA 5 DESATURASE INHIBITORS FOR THE TREATMENT OF PAIN, INFLAMMATION AND CANCER LEXICON PHARMACEUTICALS, INC. (US) 2008-07-24 WO claimed
WO-2008089310-A2 DELTA 5 DESATURASE INHIBITORS FOR THE TREATMENT OF OBESITY LEXICON PHARMACEUTICALS, INC. (US) 2008-07-24 WO claimed
US-20080200458-A1 Methods and compositions for the treatment of body composition disorders LEXICON PHARMACEUTICALS, INC. 2008-08-21 US disclosed
US-20080194557-A1 Methods and compositions for the treatment of pain, inflammation and cancer LEXICON PHARMACEUTICALS, INC. 2008-08-14 US disclosed
WO-2008089307-A2 DELTA 5 DESATURASE INHIBITORS FOR THE TREATMENT OF PAIN, INFLAMMATION AND CANCER LEXICON PHARMACEUTICALS, INC. (US) 2008-07-24 WO disclosed
WO-2008089310-A2 DELTA 5 DESATURASE INHIBITORS FOR THE TREATMENT OF OBESITY LEXICON PHARMACEUTICALS, INC. (US) 2008-07-24 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 (2 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-20080194557-A1 Methods and compositions for the treatment of pain, inflammation and cancer TNF, IL6, CXCL8 FADS1 1059/4885KDR 1066/4885EGFR 1259/4885
US-20080200458-A1 Methods and compositions for the treatment of body composition disorders CPT1B, CPT1A, SHBG FADS1 270/4885KDR 4840/4885EGFR 3860/4885

“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.