SCHEMBL4786745

SCHEMBL4786745

Cn1nc(Nc2cccc(Cl)c2)c2ccccc21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.53
FADS1 O60427 5/20 0.51
EGFR P00533 4/20 0.51
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
KDM4E B2RXH2 2/20 0.50
CYP1A2 P05177 2/20 0.50
CYP3A4 P08684 2/20 0.50
MAPT P10636 2/20 0.50
CYP2C9 P11712 2/20 0.50
HPGD P15428 2/20 0.50
CYP2C19 P33261 2/20 0.50
HSD17B10 Q99714 2/20 0.50
POLB P06746 2/20 0.50
HSP90AA1 P07900 1/20 0.50
MAPK1 P28482 1/20 0.50
LCK P06239 1/20 0.50
PDE5A O76074 3/20 0.49
ALDH1A1 P00352 1/20 0.49
CYP2D6 P10635 1/20 0.49

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
SCHEMBL4740878 0.89 EGFR (0.51) GAAFADS1EGFRMEN1KMT2A
SCHEMBL4785974 0.84 FADS1 (0.55) GAAFADS1EGFRMEN1KMT2A
SCHEMBL4740887 0.84 MEN1 (0.56) GAAFADS1EGFRMEN1KMT2A
SCHEMBL4804196 0.83 MAPT (0.44) GAAFADS1EGFRMEN1KMT2A
SCHEMBL4742065 0.82 FADS1 (0.59) FADS1EGFRMEN1KMT2AKDM4E
SCHEMBL4739653 0.82 MEN1 (0.45) GAAFADS1EGFRMEN1KMT2A
SCHEMBL4786092 0.81 KDR (0.52) GAAMEN1KMT2AKDM4ECYP1A2
SCHEMBL4810776 0.80 MEN1 (0.43) GAAFADS1EGFRMEN1KMT2A
SCHEMBL4783757 0.80 AKR1C3 (0.51) MEN1KMT2AKDM4ECYP1A2CYP3A4
SCHEMBL4738611 0.80 KDM4C (0.48) FADS1EGFRMEN1KMT2AKDM4E

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 GAA 3106/4885FADS1 1059/4885EGFR 1259/4885
US-20080200458-A1 Methods and compositions for the treatment of body composition disorders CPT1B, CPT1A, SHBG GAA 466/4885FADS1 270/4885EGFR 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.