SCHEMBL4173552

SCHEMBL4173552

CN(C)c1ccc(C(C(N)=O)n2ccnc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 6/20 0.42
ALDH1A1 P00352 1/20 0.39
CYP26A1 O43174 6/20 0.39
CYP3A4 P08684 2/20 0.39
GFER P55789 1/20 0.38
CYP17A1 P05093 4/20 0.38
MAPT P10636 1/20 0.37
SLC6A3 Q01959 1/20 0.37

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
SCHEMBL17675669 0.82 CYP19A1 (0.42) CYP19A1ALDH1A1CYP26A1CYP3A4CYP17A1
SCHEMBL5972481 0.81 CYP19A1 (0.57) CYP19A1ALDH1A1CYP26A1CYP3A4CYP17A1
SCHEMBL11224914 0.80 CYP19A1 (0.48) CYP19A1ALDH1A1CYP26A1CYP3A4MAPT
SCHEMBL9223087 0.72 CYP19A1 (0.57) CYP19A1ALDH1A1CYP26A1CYP3A4CYP17A1
SCHEMBL14863070 0.70 CYP17A1 (0.52) CYP19A1ALDH1A1CYP26A1CYP3A4CYP17A1
SCHEMBL5564403 0.69 CYP17A1 (0.53) CYP19A1CYP26A1CYP3A4CYP17A1
SCHEMBL17315106 0.68 CYP19A1 (0.61) CYP19A1ALDH1A1CYP26A1CYP3A4CYP17A1
SCHEMBL3560288 0.68 CYP19A1 (0.61) CYP19A1CYP26A1CYP3A4SLC6A3
SCHEMBL4185220 0.68 MAPT (0.48) ALDH1A1MAPT
SCHEMBL11333169 0.68 CYP19A1 (0.52) CYP19A1CYP26A1CYP3A4CYP17A1SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090023735-A1 Sulphonamide Derivatives BIOTIE THERAPIES CORP. (FI) 2009-01-22 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-20090023735-A1 Sulphonamide Derivatives HCAR1, ADGRE5, ALK CYP19A1 2912/4885ALDH1A1 872/4885CYP26A1 997/4885

“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.