SCHEMBL89481

SCHEMBL89481

Nc1cccc2c1C=Nc1ccccc1S2

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 2/20 0.55
BACE1 P56817 1/20 0.41
CYP3A4 P08684 1/20 0.31
ALOX15 P16050 1/20 0.31
CASP1 P29466 1/20 0.31
CASP7 P55210 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
PTPN5 P54829 1/20 0.31
NPY5R Q15761 1/20 0.30

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
SCHEMBL5577001 0.83 TRPA1 (0.51) TRPA1BACE1CYP3A4ALOX15
SCHEMBL1726796 0.80 TRPA1 (0.56) TRPA1BACE1
Dibenzo[B,F][1,4]Thiazepine SCHEMBL696578 0.71 TRPA1 (1.00) TRPA1BACE1CYP3A4ALOX15
SCHEMBL9232229 0.70 TRPA1 (0.55) TRPA1CYP3A4ALOX15CASP1CASP7
SCHEMBL1568752 0.70 TRPA1 (0.49) TRPA1BACE1
SCHEMBL1132785 0.69 TRPA1 (0.44) TRPA1CYP3A4ALOX15SMN1; SMN2
SCHEMBL1568098 0.68 DRD2 (0.51) TRPA1
SCHEMBL4787337 0.68 DRD2 (0.44) TRPA1
SCHEMBL30004363 0.68 TRPA1 (0.50) TRPA1
SCHEMBL5259226 0.68 KMT2A (0.40) CYP3A4ALOX15CASP1CASP7SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8129402-B2 Screening molecules with anti-prion activity: kits, methods and screened molecules CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2012-03-06 US disclosed
US-20110092483-A1 SCREENING MOLECULES WITH ANTI-PRION ACTIVITY: KITS, METHODS AND SCREENED MOLECULES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2011-04-21 US disclosed
US-20060172337-A1 Screening molecules with anti-prion activity: kits, methods and screened molecules CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2006-08-03 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-20110092483-A1 SCREENING MOLECULES WITH ANTI-PRION ACTIVITY: KITS, METHODS AND SCREENED MOLECULES ATXN2L, ATXN10, CLN6 TRPA1 4766/4885BACE1 2428/4885CYP3A4 4292/4885

“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.