SCHEMBL10276792

SCHEMBL10276792

C[C@@H]1CN(c2ccccc2N=O)C[C@H](C)N1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.40
GHSR Q92847 11/20 0.36
SIGMAR1 Q99720 2/20 0.34
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
TP53 P04637 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
ALOX15 P16050 1/20 0.34
TSHR P16473 1/20 0.34
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
MAPK1 P28482 1/20 0.34
CYP2C19 P33261 1/20 0.34
HTR2B P41595 1/20 0.34
SCARB1 Q8WTV0 1/20 0.34
HDAC1 Q13547 1/20 0.33

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
SCHEMBL18043600 0.75 ADRB1 (0.52) HTTGHSRSIGMAR1KMT2AMEN1
SCHEMBL16585816 0.75 ADRB1 (0.52) HTTGHSRSIGMAR1KMT2AMEN1
SCHEMBL1737771 0.75 HTT (0.41) HTTGHSRSIGMAR1KMT2AMEN1
SCHEMBL8258138 0.75 KMT2A (0.57) HTTKMT2AMEN1ALDH1A1TP53
SCHEMBL546772 0.74 KMT2A (0.56) HTTGHSRSIGMAR1KMT2AMEN1
SCHEMBL3544732 0.72 HTR2C (0.41) SIGMAR1HTR2AHTR2CHTR2BHDAC1
SCHEMBL23744701 0.71 RBP4 (0.44) HTTKMT2AMEN1ALDH1A1CYP1A2
SCHEMBL9224742 0.71 DRD2 (0.56) GHSRSIGMAR1ALDH1A1CYP2C19LMNA
SCHEMBL20157461 0.71 GHSR (0.44) HTTGHSRKMT2AMEN1ALDH1A1
SCHEMBL23744698 0.71 RBP4 (0.44) HTTKMT2AMEN1ALDH1A1CYP1A2

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-8163746-B2 Azolecarboxamide derivative ASTELLAS PHARMA INC. (JP) 2012-04-24 US disclosed
US-20090286766-A1 AZOLECARBOXAMIDE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2009-11-19 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-20090286766-A1 AZOLECARBOXAMIDE DERIVATIVE GPR17, NTRK1, TRPV1 HTT 4067/4885GHSR 2144/4885SIGMAR1 1460/4885

“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.