SCHEMBL4739668

SCHEMBL4739668

CCc1cc2c(Nc3cccc(Cl)c3)nccc2o1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FADS1 O60427 4/20 0.62
TNF P01375 1/20 0.51
FBP1 P09467 2/20 0.46
EGFR P00533 8/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
POLB P06746 1/20 0.46
LCK P06239 1/20 0.44
ERBB2 P04626 2/20 0.44
TTBK1 Q5TCY1 1/20 0.43
TTBK2 Q6IQ55 1/20 0.43
KDM4E B2RXH2 2/20 0.43
CYP1A2 P05177 2/20 0.43
CYP3A4 P08684 2/20 0.43
CYP2D6 P10635 2/20 0.43
MAPT P10636 2/20 0.43
HPGD P15428 2/20 0.43
IDO1 P14902 1/20 0.43
TDO2 P48775 1/20 0.43
GMNN O75496 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
SCHEMBL4741003 0.84 FADS1 (0.66) FADS1TNFFBP1EGFRMEN1
SCHEMBL4742014 0.77 FADS1 (1.00) FADS1TNFFBP1EGFRMEN1
SCHEMBL21076479 0.72 F2RL3 (0.39)
SCHEMBL4933191 0.71 TNF (0.64) FADS1TNFEGFRMEN1KMT2A
SCHEMBL4785920 0.68 TTBK1 (0.65) FADS1TNFEGFRMEN1KMT2A
SCHEMBL4738586 0.68 FADS1 (0.58) FADS1TNFFBP1EGFRMEN1
SCHEMBL24399634 0.68 FADS1 (0.54) FADS1TNFFBP1EGFRMEN1
SCHEMBL3955863 0.67 NPC1 (0.66) FADS1TNFEGFRMEN1KMT2A
SCHEMBL15020030 0.67 TLR8 (0.43)
SCHEMBL4739635 0.67 EGFR (0.74) FADS1FBP1EGFRMEN1KMT2A

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-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-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

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 1059/4885TNF 1/4885FBP1 3236/4885
US-20240216316-A1 DIHOMO-GAMMA LINOLENIC ACID (DGLA) IS A NOVEL SENOLYTIC DAGLA, DAGLB, MGLL FADS1 192/4885TNF 752/4885FBP1 3090/4885
US-20080200458-A1 Methods and compositions for the treatment of body composition disorders CPT1B, CPT1A, SHBG FADS1 270/4885TNF 790/4885FBP1 771/4885

“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.