SCHEMBL4742010

SCHEMBL4742010

COc1ccc2onc(Nc3cccc(Cl)c3)c2c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FADS1 O60427 2/20 0.60
EGFR P00533 6/20 0.53
ERBB3 P21860 1/20 0.53
EPHX2 P34913 3/20 0.49
ABL1 P00519 3/20 0.49
KDM4E B2RXH2 2/20 0.49
MEN1 O00255 2/20 0.49
LMNA P02545 2/20 0.49
MAPT P10636 2/20 0.49
HPGD P15428 2/20 0.49
MAPK1 P28482 2/20 0.49
KMT2A Q03164 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
SRC P12931 2/20 0.49
KDR P35968 1/20 0.49
GMNN O75496 1/20 0.49
ALDH1A1 P00352 1/20 0.49
RAF1 P04049 1/20 0.49
TP53 P04637 1/20 0.49
CYP1A2 P05177 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
SCHEMBL4786411 0.85 EGFR (0.57) FADS1EGFREPHX2KDM4EMEN1
SCHEMBL4741893 0.81 EPHX2 (0.71) FADS1EGFREPHX2ABL1KDM4E
SCHEMBL8113365 0.79 EPHX2 (0.51) EGFREPHX2KDM4EMEN1LMNA
SCHEMBL2101452 0.78 EGFR (0.74) FADS1EGFRABL1KDM4EMEN1
SCHEMBL6922784 0.77 SGMS2 (0.57) EGFRERBB3ABL1KDM4EMEN1
SCHEMBL4787382 0.75 FADS1 (1.00) FADS1EGFRERBB3ABL1SRC
SCHEMBL30667391 0.75 EPHX2 (0.60) EGFREPHX2MAPTKDRCYP3A4
SCHEMBL29118464 0.75 EPHX2 (0.60) EGFREPHX2MAPTKDRCYP3A4
SCHEMBL4742065 0.74 FADS1 (0.59) FADS1EGFRERBB3ABL1KDM4E
SCHEMBL29118458 0.73 EPHX2 (0.61) EGFREPHX2MEN1MAPTKMT2A

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 7 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-20240216316-A1 DIHOMO-GAMMA LINOLENIC ACID (DGLA) IS A NOVEL SENOLYTIC BUCK INST RES AGING (US) 2024-07-04 US disclosed
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 (3 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 1059/4885EGFR 1259/4885ERBB3 3193/4885
US-20240216316-A1 DIHOMO-GAMMA LINOLENIC ACID (DGLA) IS A NOVEL SENOLYTIC DAGLA, DAGLB, MGLL FADS1 192/4885EGFR 2964/4885ERBB3 3696/4885
US-20080200458-A1 Methods and compositions for the treatment of body composition disorders CPT1B, CPT1A, SHBG FADS1 270/4885EGFR 3860/4885ERBB3 2950/4885

“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.