SCHEMBL4783753

SCHEMBL4783753

CCC(C)n1nc(Nc2cccc(Cl)c2)c2cc(OC)ccc21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FADS1 O60427 1/20 0.52
KDR P35968 1/20 0.45
PDE4B Q07343 1/20 0.43
PDE4D Q08499 1/20 0.43
EGFR P00533 11/20 0.43
ERBB3 P21860 1/20 0.43
ABL1 P00519 4/20 0.43
KDM4E B2RXH2 2/20 0.43
MAPT P10636 2/20 0.43
MAPK1 P28482 2/20 0.43
MEN1 O00255 2/20 0.43
LMNA P02545 2/20 0.43
HPGD P15428 2/20 0.43
KMT2A Q03164 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
SRC P12931 2/20 0.43
TNF P01375 1/20 0.43
GMNN O75496 1/20 0.43
ALDH1A1 P00352 1/20 0.43
RAF1 P04049 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
SCHEMBL4739358 0.86 FADS1 (0.53) FADS1KDREGFRERBB3ABL1
SCHEMBL4787408 0.84 FADS1 (0.51) FADS1KDREGFRERBB3ABL1
SCHEMBL4785824 0.84 FADS1 (0.51) FADS1KDREGFRERBB3ABL1
SCHEMBL4741006 0.84 FADS1 (0.51) FADS1KDREGFRERBB3ABL1
SCHEMBL4783237 0.81 FADS1 (0.48) FADS1KDREGFRMAPTMEN1
SCHEMBL4742065 0.81 FADS1 (0.59) FADS1KDREGFRERBB3ABL1
SCHEMBL4741728 0.80 FADS1 (0.55) FADS1KDREGFRERBB3ABL1
SCHEMBL4740955 0.80 FADS1 (0.50) FADS1KDREGFRERBB3ABL1
SCHEMBL4785627 0.79 KDR (0.54) FADS1KDREGFRERBB3MEN1
SCHEMBL4785097 0.78 FADS1 (0.53) FADS1KDREGFRERBB3ABL1

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-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-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 1059/4885KDR 1066/4885PDE4B 798/4885
US-20080200458-A1 Methods and compositions for the treatment of body composition disorders CPT1B, CPT1A, SHBG FADS1 270/4885KDR 4840/4885PDE4B 375/4885

“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.