SCHEMBL4782909

SCHEMBL4782909

Fc1cccc(Nc2n[nH]c3ccc(F)cc23)c1

nearest known ligand 0.80

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FADS1 O60427 8/20 0.80
GRM4 Q14833 4/20 0.64
MAPK1 P28482 1/20 0.50
HTT P42858 1/20 0.50
MKNK1 Q9BUB5 1/20 0.50
JAK2 O60674 1/20 0.47
EGFR P00533 2/20 0.47
ABCG2 Q9UNQ0 2/20 0.47
GSK3A P49840 1/20 0.46
GSK3B P49841 1/20 0.46
ABL1 P00519 1/20 0.45
ABL2 P42684 1/20 0.45
TRPA1 O75762 2/20 0.45

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
SCHEMBL4507100 0.90 FADS1 (0.72) FADS1GRM4MAPK1HTTMKNK1
SCHEMBL4743301 0.89 FADS1 (0.72) FADS1GRM4MAPK1GSK3AGSK3B
SCHEMBL4796579 0.89 FADS1 (1.00) FADS1GRM4MAPK1EGFRGSK3B
SCHEMBL4785847 0.88 FADS1 (1.00) FADS1GRM4MAPK1HTTMKNK1
SCHEMBL12162662 0.85 FADS1 (0.66) FADS1GRM4MAPK1HTTMKNK1
SCHEMBL4782642 0.85 FADS1 (0.74) FADS1GRM4EGFRABCG2GSK3A
SCHEMBL2571160 0.83 FADS1 (0.63) FADS1GRM4EGFRABCG2
SCHEMBL4740891 0.82 FADS1 (0.62) FADS1GRM4MAPK1HTTMKNK1
SCHEMBL4785286 0.79 FADS1 (1.00) FADS1GRM4MAPK1EGFRGSK3B
SCHEMBL2360493 0.78 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 5 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
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

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 1381/4885MAPK1 1866/4885
US-20240216316-A1 DIHOMO-GAMMA LINOLENIC ACID (DGLA) IS A NOVEL SENOLYTIC DAGLA, DAGLB, MGLL FADS1 192/4885GRM4 4347/4885MAPK1 3983/4885
US-20080200458-A1 Methods and compositions for the treatment of body composition disorders CPT1B, CPT1A, SHBG FADS1 270/4885GRM4 1878/4885MAPK1 4578/4885

“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.