SCHEMBL3436003

SCHEMBL3436003

Nc1ccccc1N1CCNC(=O)C1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.49
ADRA2C P18825 1/20 0.46
GAA P10253 2/20 0.44
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
USP2 O75604 1/20 0.44
RORC P51449 1/20 0.38
OPRM1 P35372 4/20 0.38
OPRL1 P41146 3/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
OPRD1 P41143 1/20 0.36
OPRK1 P41145 1/20 0.36
OGFRL1 Q5TC84 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ADRB1 P08588 1/20 0.36
PRKCH P24723 1/20 0.36
PRKCE Q02156 1/20 0.36
SCN9A Q15858 1/20 0.36
GAK O14976 1/20 0.35

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
SCHEMBL3436190 0.85 KEAP1 (0.51) KEAP1ADRA2CGAAKMT2AMEN1
SCHEMBL3436310 0.80 ADRB1 (0.59) KMT2AMEN1ADRB1
SCHEMBL5373038 0.80 MEN1 (0.49) KMT2AMEN1KDM4ESCN9A
SCHEMBL3435100 0.80 MEN1 (0.49) KEAP1ADRA2CGAAKMT2AMEN1
SCHEMBL15055212 0.79 HTR3E (0.53) KMT2AMEN1USP2RORCOPRM1
SCHEMBL20139976 0.78 JAK2 (0.42)
SCHEMBL2560845 0.78 PIM1 (0.41) KMT2AMEN1RORCOPRM1L3MBTL1
SCHEMBL14377416 0.76 GRIN2D (0.55) KMT2AMEN1OPRM1OPRD1OPRK1
SCHEMBL10998253 0.76 DRD2 (0.62) GAAADRB1
SCHEMBL3125646 0.76 DDB1 (0.46) ADRA2CGAAKMT2AMEN1USP2

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 4 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-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
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 KEAP1 1485/4885ADRA2C 161/4885GAA 3904/4885

“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.