SCHEMBL4741513

SCHEMBL4741513

c1ccc(Nc2n[nH]c3ccccc23)cc1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.75
FADS1 O60427 6/20 0.69
GRM4 Q14833 2/20 0.60
ADRA2A P08913 2/20 0.55
AURKA O14965 1/20 0.52
KDM4E B2RXH2 2/20 0.50
GAA P10253 2/20 0.50
IDO1 P14902 2/20 0.50
EGFR P00533 2/20 0.50
ALDH1A1 P00352 1/20 0.50
ALPL P05186 1/20 0.50
HPGD P15428 1/20 0.50
TTK P33981 1/20 0.50
MAPK10 P53779 1/20 0.50
CCNA2 P20248 1/20 0.50
CDK2 P24941 1/20 0.50
FLT3 P36888 1/20 0.50
CCNA1 P78396 1/20 0.50
EPAS1 Q99814 1/20 0.49
PDPK1 O15530 1/20 0.48

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
SCHEMBL29882003 1.00 TRPA1 (0.75) TRPA1FADS1GRM4ADRA2AAURKA
SCHEMBL7346388 0.87 TRPA1 (0.69) TRPA1FADS1GRM4ADRA2AAURKA
SCHEMBL27604456 0.86 TRPA1 (0.71) TRPA1FADS1GRM4ADRA2AHPGD
SCHEMBL4822088 0.86 TRPA1 (0.71) TRPA1FADS1GRM4ADRA2AAURKA
SCHEMBL29592533 0.86 TRPA1 (0.71) TRPA1FADS1GRM4ADRA2AEGFR
SCHEMBL4785847 0.82 FADS1 (1.00) TRPA1FADS1GRM4ADRA2AEGFR
SCHEMBL4783454 0.82 FADS1 (1.00) TRPA1FADS1GRM4KDM4EEGFR
SCHEMBL801419 0.82 FADS1 (0.69) TRPA1FADS1GRM4ADRA2AEGFR
SCHEMBL2206804 0.82 NPY5R (0.68) TRPA1FADS1AURKAKDM4E
SCHEMBL18410601 0.81 TRPA1 (0.53) TRPA1FADS1GRM4AURKAKDM4E

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 9 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
WO-2017015451-A1 HEPATITIS B ANTIVIRAL AGENTS ENANTA PHARMACEUTICALS, INC. (US) 2017-01-26 WO disclosed
WO-2016183266-A1 EHPATITIS B ANTIVIRAL AGENTS ENANTA PHARMACEUTICALS, INC. (US) 2016-11-17 WO 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
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 (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 TRPA1 32/4885FADS1 1059/4885GRM4 1381/4885
US-20240216316-A1 DIHOMO-GAMMA LINOLENIC ACID (DGLA) IS A NOVEL SENOLYTIC DAGLA, DAGLB, MGLL TRPA1 4704/4885FADS1 192/4885GRM4 4347/4885
US-20080200458-A1 Methods and compositions for the treatment of body composition disorders CPT1B, CPT1A, SHBG TRPA1 4023/4885FADS1 270/4885GRM4 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.