SCHEMBL4784339

SCHEMBL4784339

COC(=O)c1ccc2[nH]nc(Nc3cccc(Cl)c3)c2c1

nearest known ligand 0.68

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FADS1 O60427 7/20 0.68
ULK1 O75385 1/20 0.53
ALOX5 P09917 3/20 0.52
GRM4 Q14833 1/20 0.51
ERBB2 P04626 1/20 0.50
PTK6 Q13882 1/20 0.50
MAP2K4 P45985 1/20 0.49
BCL6 P41182 1/20 0.47
BCOR Q6W2J9 1/20 0.47
PIM1 P11309 1/20 0.45
PIM2 Q9P1W9 1/20 0.45
BRD4 O60885 1/20 0.45
EP300 Q09472 1/20 0.45
CREBBP Q92793 1/20 0.45
PDGFRB P09619 1/20 0.45
JAK2 O60674 1/20 0.44
JAK1 P23458 1/20 0.44
NTRK1 P04629 1/20 0.44

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
SCHEMBL4786179 0.86 FADS1 (0.70) FADS1GRM4ERBB2PTK6BCL6
SCHEMBL4785286 0.81 FADS1 (1.00) FADS1GRM4PIM1PDGFRB
SCHEMBL4787382 0.81 FADS1 (1.00) FADS1GRM4PDGFRB
SCHEMBL4786848 0.81 FADS1 (0.63) FADS1ULK1ALOX5GRM4JAK2
SCHEMBL4783364 0.79 FADS1 (0.80) FADS1ALOX5GRM4PIM1
SCHEMBL4741654 0.79 FADS1 (1.00) FADS1GRM4PIM1PDGFRB
SCHEMBL2671181 0.78 KDM4E (0.49) ULK1MAP2K4CREBBP
SCHEMBL4796579 0.77 FADS1 (1.00) FADS1GRM4PIM1PDGFRB
SCHEMBL4787290 0.77 FADS1 (1.00) FADS1GRM4ERBB2PTK6PIM1
SCHEMBL4742110 0.77 FADS1 (0.74) FADS1GRM4

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-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 (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 1059/4885ULK1 1306/4885ALOX5 18/4885
US-20080200458-A1 Methods and compositions for the treatment of body composition disorders CPT1B, CPT1A, SHBG FADS1 270/4885ULK1 4063/4885ALOX5 213/4885

“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.