SCHEMBL3436023

SCHEMBL3436023

Nc1ccccc1N1CC[C@@H](O)C1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.59
MEN1 O00255 2/20 0.59
USP2 O75604 2/20 0.59
KMT2A Q03164 2/20 0.59
KEAP1 Q14145 1/20 0.52
ADRA2C P18825 1/20 0.49
PBRM1 Q86U86 4/20 0.46
SMARCA2 P51531 2/20 0.46
SMARCA4 P51532 2/20 0.46
NOTUM Q6P988 2/20 0.41
KDM4E B2RXH2 2/20 0.38
PRKDC P78527 2/20 0.37
AR P10275 1/20 0.37
CDK1 P06493 1/20 0.36
CDK2 P24941 1/20 0.36
SMPD3 Q9NY59 2/20 0.36
TP53 P04637 1/20 0.36
HTT P42858 1/20 0.36

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
SCHEMBL3436206 1.00 GAA (0.59) GAAMEN1USP2KMT2AKEAP1
SCHEMBL3435118 0.90 KEAP1 (0.58) GAAMEN1USP2KMT2AKEAP1
SCHEMBL861381 0.89 GAA (0.68) GAAMEN1USP2KMT2AKEAP1
SCHEMBL3957609 0.85 KEAP1 (0.53) GAAMEN1USP2KMT2AKEAP1
SCHEMBL3435997 0.84 GAA (0.57) GAAMEN1USP2KMT2AKEAP1
SCHEMBL23043750 0.83 GAA (0.61) GAAMEN1USP2KMT2AKEAP1
SCHEMBL29978309 0.83 GAA (0.61) GAAMEN1USP2KMT2AKEAP1
SCHEMBL3436001 0.83 KEAP1 (0.62) GAAMEN1USP2KMT2AKEAP1
SCHEMBL13636492 0.81 GAA (0.62) GAAMEN1USP2KMT2AKEAP1
SCHEMBL3435710 0.81 GAA (0.68) GAAMEN1USP2KMT2AKEAP1

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
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
EP-2009005-A1 AZOLECARBOXAMIDE DERIVATIVE Astellas Pharma Inc. (JP) 2008-12-31 EP 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 GAA 3904/4885MEN1 4778/4885USP2 1496/4885

“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.