SCHEMBL4743301

SCHEMBL4743301

Fc1ccc2[nH]nc(Nc3ccccc3)c2c1

nearest known ligand 0.72

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FADS1 O60427 8/20 0.72
GRM4 Q14833 4/20 0.51
TRPA1 O75762 1/20 0.51
GSK3A P49840 2/20 0.47
GSK3B P49841 2/20 0.47
MAP2K4 P45985 1/20 0.46
ITK Q08881 1/20 0.46
ULK1 O75385 1/20 0.46
RIPK2 O43353 1/20 0.46
MAPK1 P28482 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
SCHEMBL4782909 0.89 FADS1 (0.80) FADS1GRM4TRPA1GSK3AGSK3B
SCHEMBL4796579 0.84 FADS1 (1.00) FADS1GRM4TRPA1GSK3BMAPK1
SCHEMBL13789198 0.83 GSK3B (0.59) FADS1GRM4TRPA1GSK3BULK1
SCHEMBL18235582 0.81 FADS1 (0.72) FADS1GRM4TRPA1MAP2K4ITK
SCHEMBL29592533 0.81 TRPA1 (0.71) FADS1GRM4TRPA1
SCHEMBL4785847 0.80 FADS1 (1.00) FADS1GRM4TRPA1GSK3AGSK3B
SCHEMBL4514088 0.80 GSK3B (0.56) FADS1GRM4TRPA1GSK3AGSK3B
SCHEMBL29882003 0.80 TRPA1 (0.75) FADS1GRM4TRPA1
SCHEMBL4741513 0.80 TRPA1 (0.75) FADS1GRM4TRPA1
SCHEMBL4507100 0.80 FADS1 (0.72) FADS1GRM4TRPA1GSK3BMAPK1

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-2008089310-A2 DELTA 5 DESATURASE INHIBITORS FOR THE TREATMENT OF OBESITY LEXICON PHARMACEUTICALS, INC. (US) 2008-07-24 WO claimed
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-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 (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 FADS1 1059/4885GRM4 1381/4885TRPA1 32/4885
US-20080200458-A1 Methods and compositions for the treatment of body composition disorders CPT1B, CPT1A, SHBG FADS1 270/4885GRM4 1878/4885TRPA1 4023/4885

“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.