SCHEMBL4787271

SCHEMBL4787271

COc1ccc2c(c1)c(Nc1cccc(Cl)c1)nn2Cc1cccnc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FADS1 O60427 1/20 0.48
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
KDR P35968 1/20 0.44
CYP19A1 P11511 1/20 0.43
MCHR1 Q99705 1/20 0.43
ABCG2 Q9UNQ0 1/20 0.42
BUB1 O43683 5/20 0.42
GABRA1 P14867 1/20 0.41
GABRA5 P31644 1/20 0.41
KDM4E B2RXH2 1/20 0.41
GFER P55789 1/20 0.41
P2RX7 Q99572 1/20 0.41
KDM4C Q9H3R0 1/20 0.41
ABL1 P00519 1/20 0.41
EGFR P00533 1/20 0.41
CDK1 P06493 1/20 0.41
BRD4 O60885 1/20 0.41
EP300 Q09472 1/20 0.41
CREBBP Q92793 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
SCHEMBL4742251 0.90 FADS1 (0.51) FADS1MEN1KMT2AKDRABCG2
SCHEMBL4785513 0.90 FADS1 (0.53) FADS1MEN1KMT2AKDRBUB1
SCHEMBL4785627 0.89 KDR (0.54) FADS1MEN1KMT2AKDRBUB1
SCHEMBL4786591 0.86 FADS1 (0.48) FADS1KDRABCG2BUB1KDM4E
SCHEMBL4813171 0.85 FADS1 (0.50) FADS1MEN1KMT2AKDRABCG2
SCHEMBL4785917 0.85 FADS1 (0.49) FADS1MEN1KMT2AKDRABCG2
SCHEMBL4742063 0.83 FADS1 (0.50) FADS1MEN1KMT2AKDRCYP19A1
SCHEMBL4743304 0.82 FADS1 (0.48) FADS1MEN1KMT2AKDRMCHR1
SCHEMBL4741728 0.82 FADS1 (0.55) FADS1MEN1KMT2AKDRABCG2
SCHEMBL4785097 0.80 FADS1 (0.53) FADS1MEN1KMT2AKDRABCG2

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-2008089310-A2 DELTA 5 DESATURASE INHIBITORS FOR THE TREATMENT OF OBESITY LEXICON PHARMACEUTICALS, INC. (US) 2008-07-24 WO claimed
WO-2008089307-A2 DELTA 5 DESATURASE INHIBITORS FOR THE TREATMENT OF PAIN, INFLAMMATION AND CANCER 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-2008089310-A2 DELTA 5 DESATURASE INHIBITORS FOR THE TREATMENT OF OBESITY LEXICON PHARMACEUTICALS, INC. (US) 2008-07-24 WO 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

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 1059/4885MEN1 3245/4885KMT2A 3920/4885
US-20080200458-A1 Methods and compositions for the treatment of body composition disorders CPT1B, CPT1A, SHBG FADS1 270/4885MEN1 1919/4885KMT2A 3148/4885

“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.