SCHEMBL4740555

SCHEMBL4740555

COc1ccc2[nH]nc(Nc3ccc(F)c(Cl)c3)c2c1

nearest known ligand 0.71

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FADS1 O60427 6/20 0.71
GRM4 Q14833 5/20 0.57
APP P05067 1/20 0.52
TRPA1 O75762 2/20 0.51
EGFR P00533 4/20 0.48
AURKA O14965 1/20 0.48
ERBB2 P04626 1/20 0.48
INSR P06213 1/20 0.48
FBP1 P09467 1/20 0.48
PDGFRB P09619 1/20 0.48
FLT4 P35916 1/20 0.48
KDR P35968 1/20 0.48
CLK1 P49759 1/20 0.48
EPHB4 P54760 1/20 0.48
TEK Q02763 1/20 0.48
AURKB Q96GD4 1/20 0.48
MEN1 O00255 1/20 0.46
MAPT P10636 1/20 0.46
KMT2A Q03164 1/20 0.46

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
SCHEMBL4785396 0.84 FADS1 (0.79) FADS1GRM4TRPA1PDGFRBMEN1
SCHEMBL4787382 0.83 FADS1 (1.00) FADS1GRM4EGFRPDGFRBKDR
SCHEMBL4738081 0.81 FADS1 (0.64) FADS1GRM4TRPA1MEN1MAPT
SCHEMBL4784170 0.81 FADS1 (0.74) FADS1GRM4TRPA1
SCHEMBL4782642 0.81 FADS1 (0.74) FADS1GRM4EGFRPDGFRBFLT4
SCHEMBL4739656 0.80 FADS1 (0.69) FADS1GRM4EGFR
SCHEMBL8205589 0.74 EGFR (0.73) EGFRAURKAERBB2INSRFBP1
SCHEMBL6923707 0.73 GRM4 (1.00) GRM4TRPA1
SCHEMBL11700238 0.72 FADS1 (0.58) FADS1GRM4MEN1MAPTKMT2A
SCHEMBL2360210 0.72 GRM4 (1.00) GRM4

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 1059/4885GRM4 1381/4885APP 1481/4885
US-20240216316-A1 DIHOMO-GAMMA LINOLENIC ACID (DGLA) IS A NOVEL SENOLYTIC DAGLA, DAGLB, MGLL FADS1 192/4885GRM4 4347/4885APP 1369/4885
US-20080200458-A1 Methods and compositions for the treatment of body composition disorders CPT1B, CPT1A, SHBG FADS1 270/4885GRM4 1878/4885APP 2416/4885

“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.