SCHEMBL4809954

SCHEMBL4809954

Clc1cccc(Nc2n[nH]c3ccc(-n4cccn4)cc23)c1

nearest known ligand 0.66

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FADS1 O60427 8/20 0.66
GRM4 Q14833 4/20 0.53
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
NOTUM Q6P988 1/20 0.42
TRPA1 O75762 2/20 0.41
PIK3CA P42336 1/20 0.41
MTOR P42345 1/20 0.41
JAK3 P52333 1/20 0.41
NTRK2 Q16620 1/20 0.41
CAMK2A Q9UQM7 1/20 0.41
TP53 P04637 1/20 0.41
MAPT P10636 1/20 0.41
TNIK Q9UKE5 1/20 0.40

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 0.80 FADS1 (1.00) FADS1GRM4TRPA1MAPT
SCHEMBL4787166 0.77 MEN1 (0.48) FADS1MEN1KMT2ACYP1A2CYP3A4
SCHEMBL4787290 0.76 FADS1 (1.00) FADS1GRM4MEN1KMT2ACYP1A2
SCHEMBL4741654 0.76 FADS1 (1.00) FADS1GRM4MEN1KMT2ATRPA1
SCHEMBL4783364 0.76 FADS1 (0.80) FADS1GRM4TRPA1
SCHEMBL4796579 0.76 FADS1 (1.00) FADS1GRM4TRPA1
SCHEMBL4783454 0.75 FADS1 (1.00) FADS1GRM4CYP1A2CYP3A4CYP2D6
SCHEMBL4787382 0.73 FADS1 (1.00) FADS1GRM4
SCHEMBL4811755 0.73 FADS1 (0.74) FADS1GRM4TRPA1MAPT
SCHEMBL4741883 0.73 FADS1 (0.74) FADS1GRM4TRPA1

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 1381/4885MEN1 3245/4885
US-20080200458-A1 Methods and compositions for the treatment of body composition disorders CPT1B, CPT1A, SHBG FADS1 270/4885GRM4 1878/4885MEN1 1919/4885

“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.