SCHEMBL4783454

SCHEMBL4783454

Clc1cccc(Nc2n[nH]c3ccccc23)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FADS1 O60427 9/20 1.00
TRPA1 O75762 2/20 0.70
GRM4 Q14833 2/20 0.64
EGFR P00533 4/20 0.58
ABL1 P00519 1/20 0.58
ABL2 P42684 1/20 0.58
LCK P06239 1/20 0.52
PDE5A O76074 3/20 0.51
KDM4E B2RXH2 1/20 0.51
ALDH1A1 P00352 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
MAPT P10636 1/20 0.51
CYP2C9 P11712 1/20 0.51
HPGD P15428 1/20 0.51
ALOX15 P16050 1/20 0.51
CYP2C19 P33261 1/20 0.51
PDE1A P54750 1/20 0.51
PDE1B Q01064 1/20 0.51

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
SCHEMBL4785286 0.88 FADS1 (1.00) FADS1TRPA1GRM4EGFRABL1
SCHEMBL4787290 0.83 FADS1 (1.00) FADS1TRPA1GRM4EGFRABL1
SCHEMBL4796579 0.83 FADS1 (1.00) FADS1TRPA1GRM4EGFRABL1
SCHEMBL4783364 0.83 FADS1 (0.80) FADS1TRPA1GRM4EGFRABL1
SCHEMBL4785768 0.83 FADS1 (0.71) FADS1TRPA1GRM4PIM1
SCHEMBL4741654 0.83 FADS1 (1.00) FADS1TRPA1GRM4EGFRABL1
SCHEMBL4741513 0.82 TRPA1 (0.75) FADS1TRPA1GRM4EGFRKDM4E
SCHEMBL29882003 0.82 TRPA1 (0.75) FADS1TRPA1GRM4EGFRKDM4E
SCHEMBL4785847 0.82 FADS1 (1.00) FADS1TRPA1GRM4EGFRALDH1A1
SCHEMBL801419 0.82 FADS1 (0.69) FADS1TRPA1GRM4EGFRABL1

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 1059/4885TRPA1 32/4885GRM4 1381/4885
US-20080200458-A1 Methods and compositions for the treatment of body composition disorders CPT1B, CPT1A, SHBG FADS1 270/4885TRPA1 4023/4885GRM4 1878/4885

“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.