SCHEMBL13038422

SCHEMBL13038422

CN(C)c1ncc(N)cc1Br

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.34
KMT2A Q03164 1/20 0.34
CHEK1 O14757 1/20 0.32
AURKA O14965 1/20 0.32
NOS1 P29475 2/20 0.30
UHRF1 Q96T88 1/20 0.30
NOS3 P29474 1/20 0.30
NOS2 P35228 1/20 0.30
ALDH1A1 P00352 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
SCHEMBL10611794 0.78 CHEK1 (0.33) CHEK1AURKANOS1UHRF1NOS3
SCHEMBL1100862 0.77 NOS1 (0.40) CHEK1AURKANOS1UHRF1NOS3
SCHEMBL17703483 0.77 NOS1 (0.40) AURKANOS1NOS3NOS2ALDH1A1
SCHEMBL1100888 0.75 ALDH1A1 (0.37) CHEK1AURKANOS1NOS3NOS2
SCHEMBL13681703 0.75 CYP3A4 (0.36) GAAMAPTHTTKMT2ACHEK1
SCHEMBL30991072 0.75 ALDH1A1 (0.30) ALDH1A1
Hydrochloric Acid SCHEMBL4163676 0.73 ALDH1A1 (0.36) CHEK1AURKAALDH1A1
SCHEMBL15902113 0.72 MAPT (0.37) GAAMAPTHTTKMT2AALDH1A1
SCHEMBL16248220 0.72 CRHR1 (0.31)
SCHEMBL23608556 0.72 GAA (0.30) GAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1632477-B1 BENZAMIDE DERIVATIVE OR SALT THEREOF ASTELLAS PHARMA INC (JP) 2017-03-01 EP disclosed
US-7855198-B2 Benzamide derivative or salt thereof ASTELLAS PHARMA INC. (JP) 2010-12-21 US disclosed
US-20090270365-A1 such as N-(2,4-dimethyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-2-(piperidin-1-ylmethyl)biphenyl-4-carboxamide, having vanilloid receptor 1 antagonistic activity, used as analgesics ASTELLAS PHARMA INC. (JP) 2009-10-29 US disclosed
US-7585878-B2 Benzamide derivative or salt thereof ASTELLAS PHARMA INC. (JP) 2009-09-08 US disclosed
US-7585878-B2 Benzamide derivative or salt thereof ASTELLAS PHARMA INC. (JP) 2009-09-08 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-20090270365-A1 such as N-(2,4-dimethyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-2-(piperidin-1-ylmethyl)biphenyl-4-carboxamide, having vanilloid receptor 1 antagonistic activity, used as analgesics TRPV1, TRPV2, TRPV3 GAA 4357/4885MAPT 4262/4885HTT 2023/4885

“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.