SCHEMBL31298060

SCHEMBL31298060

N=C(NC(=O)c1ccccc1)N1CCNCC1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.58
GAA P10253 1/20 0.50
POLB P06746 1/20 0.49
CCNC P24863 4/20 0.47
CDK8 P49336 4/20 0.47
MEN1 O00255 1/20 0.46
RAB9A P51151 1/20 0.46
KMT2A Q03164 1/20 0.46
GPR6 P46095 1/20 0.46
USP2 O75604 1/20 0.45
ALDH1A1 P00352 1/20 0.45
TSHR P16473 1/20 0.45
HSD17B10 Q99714 1/20 0.45
ALOX5 P09917 1/20 0.44

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
SCHEMBL6121111 0.84 GAA (0.71) SIGMAR1GAAPOLBCCNCCDK8
SCHEMBL31297972 0.83 HRH4 (0.45) SIGMAR1GAAMEN1RAB9AKMT2A
Hydrochloric Acid SCHEMBL29268525 0.83 GAA (0.69) SIGMAR1GAAPOLBCCNCCDK8
SCHEMBL31298051 0.81 KMT2A (0.62) GAAPOLBMEN1RAB9AKMT2A
SCHEMBL31298071 0.78 GAA (0.43) GAARAB9AALDH1A1TSHRHSD17B10
SCHEMBL7108628 0.76 CA2 (0.43) SIGMAR1POLBCCNCCDK8
SCHEMBL31298011 0.76 L3MBTL3 (0.52) GAAMEN1KMT2A
SCHEMBL6403300 0.75 GAA (0.47) GAARAB9AALOX5
SCHEMBL28393 0.74 SIGMAR1 (1.00) SIGMAR1POLBCCNCCDK8USP2
SCHEMBL894920 0.74 SIGMAR1 (1.00) SIGMAR1POLBCCNCCDK8USP2

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-20250043353-A1 BIOMARKERS OF RESPONSE TO SELECTIVE INHIBITORS OF AURORA A KINASE MILLENNIUM PHARM INC (US) 2025-02-06 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-20250043353-A1 BIOMARKERS OF RESPONSE TO SELECTIVE INHIBITORS OF AURORA A KINASE WNT1, XPOT, CTNNBL1 SIGMAR1 4495/4885GAA 4758/4885POLB 2022/4885

“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.