SCHEMBL17462008

SCHEMBL17462008

Cc1ccc(-c2cc(C#N)cc(-c3ccc(C)cc3)n2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.52
CYP2A6 P11509 1/20 0.52
KDM4E B2RXH2 4/20 0.50
HPGD P15428 2/20 0.50
NPSR1 Q6W5P4 2/20 0.50
PPARG P37231 1/20 0.50
NCOA2 Q15596 1/20 0.50
NCOA1 Q15788 1/20 0.50
NCOA3 Q9Y6Q9 1/20 0.50
ADORA2A P29274 1/20 0.50
ADORA1 P30542 1/20 0.50
CYP11B1 P15538 1/20 0.50
CYP11B2 P19099 1/20 0.50
GAA P10253 1/20 0.47
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
MAPT P10636 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
ADORA3 P0DMS8 1/20 0.42

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
SCHEMBL17051425 0.83 ALDH1A1 (0.57) ALDH1A1CYP2A6KDM4EHPGDNPSR1
SCHEMBL19164671 0.83 ALDH1A1 (0.57) ALDH1A1CYP2A6KDM4EHPGDNPSR1
SCHEMBL10163852 0.80 HRH4 (0.50) ALDH1A1KDM4EHPGDNPSR1CYP11B1
SCHEMBL28533733 0.79 ALDH1A1 (0.47) ALDH1A1CYP2A6KDM4EHPGDNPSR1
SCHEMBL7213476 0.79 MYC (0.54) ALDH1A1KDM4EHPGDADORA2AADORA1
SCHEMBL19164673 0.79 ALDH1A1 (0.52) ALDH1A1CYP2A6KDM4EHPGDNPSR1
SCHEMBL12264964 0.78 MEN1 (0.55) ALDH1A1KDM4EHPGDGAAMEN1
SCHEMBL17051408 0.77 ALDH1A1 (0.58) ALDH1A1CYP2A6GRM5ERBB2
SCHEMBL17051423 0.77 ABCG2 (0.58) ALDH1A1CYP2A6KDM4EHPGDNPSR1
SCHEMBL13173500 0.76 KMT2A (0.63) ALDH1A1KDM4EHPGDMEN1KMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9409864-B2 Sulfonamide TRPA1 receptor antagonists ARIO PHARMA LIMITED (GB) 2016-08-09 US disclosed
US-20160024009-A1 Novel Sulfonamide TRPA1 Receptor Antagonists ARIO PHARMA LIMITED (GB) 2016-01-28 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 (1 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-20160024009-A1 Novel Sulfonamide TRPA1 Receptor Antagonists TRPA1, TRPV1, TRPV2 ALDH1A1 828/4885CYP2A6 1765/4885KDM4E 4342/4885

“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.