SCHEMBL4740995

SCHEMBL4740995

O=[N+]([O-])c1cccc2c(Nc3cccc(Cl)c3)n[nH]c12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FADS1 O60427 8/20 0.57
EGFR P00533 6/20 0.48
GSK3B P49841 2/20 0.48
SRC P12931 1/20 0.46
GRM4 Q14833 1/20 0.45
NPC1 O15118 1/20 0.44
HPGD P15428 1/20 0.44
STAT1 P42224 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
PLK4 O00444 1/20 0.43
DAPK3 O43293 1/20 0.43
DYRK3 O43781 1/20 0.43
ROCK2 O75116 1/20 0.43
PRKD3 O94806 1/20 0.43
MAP4K4 O95819 1/20 0.43
RET P07949 1/20 0.43
PIM1 P11309 1/20 0.43
FER P16591 1/20 0.43
PRKACA P17612 1/20 0.43

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
SCHEMBL4786372 0.80 FADS1 (0.68) FADS1EGFRGSK3BSRCGRM4
SCHEMBL4786436 0.78 FADS1 (0.64) FADS1EGFRGSK3BSRCGRM4
SCHEMBL4785857 0.78 FADS1 (0.60) FADS1EGFRGSK3BSRCGRM4
SCHEMBL4738111 0.77 FADS1 (0.70) FADS1EGFRGSK3BSRCGRM4
SCHEMBL6802809 0.76 MAPT (0.56) FADS1EGFRGSK3BGRM4NPC1
SCHEMBL4796082 0.75 FADS1 (0.61) FADS1EGFRGSK3BSRCGRM4
SCHEMBL27143397 0.74 MAPT (0.50) NPC1HPGDSMN1; SMN2MAPK1KDM4E
SCHEMBL30799435 0.74 MAPT (0.50) NPC1HPGDSMN1; SMN2MAPK1KDM4E
SCHEMBL4934856 0.74 FADS1 (0.55) FADS1EGFRGSK3BSRCGRM4
SCHEMBL4783454 0.73 FADS1 (1.00) FADS1EGFRGSK3BGRM4HPGD

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-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 (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 1259/4885GSK3B 1095/4885
US-20240216316-A1 DIHOMO-GAMMA LINOLENIC ACID (DGLA) IS A NOVEL SENOLYTIC DAGLA, DAGLB, MGLL FADS1 192/4885EGFR 2964/4885GSK3B 2860/4885
US-20080200458-A1 Methods and compositions for the treatment of body composition disorders CPT1B, CPT1A, SHBG FADS1 270/4885EGFR 3860/4885GSK3B 2155/4885

“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.