SCHEMBL3435704

SCHEMBL3435704

NC(=O)CN1CCN(c2ncc(Br)cc2N)CC1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
SMN1; SMN2 Q16637 2/20 0.40
OPRK1 P41145 12/20 0.39
HSP90AA1 P07900 1/20 0.39
HSP90AB1 P08238 1/20 0.39
MEN1 O00255 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
ATM Q13315 1/20 0.37

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
SCHEMBL3436558 0.85 KMT2A (0.43) ALDH1A1SMN1; SMN2OPRK1HSP90AA1HSP90AB1
SCHEMBL3434498 0.84 SMN1; SMN2 (0.47) ALDH1A1SMN1; SMN2HSP90AA1HSP90AB1MEN1
SCHEMBL3434342 0.84 MEN1 (0.40) ALDH1A1SMN1; SMN2OPRK1HSP90AA1HSP90AB1
SCHEMBL3434295 0.84 CYP1A2 (0.44) ALDH1A1SMN1; SMN2OPRK1HSP90AA1HSP90AB1
SCHEMBL3435067 0.81 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2OPRK1HSP90AA1HSP90AB1
SCHEMBL20524606 0.79 OPRK1 (0.41) ALDH1A1SMN1; SMN2OPRK1MAPT
SCHEMBL3435131 0.77 CYP3A4 (0.46) ALDH1A1SMN1; SMN2OPRK1MEN1KMT2A
SCHEMBL20605140 0.75 HRH4 (0.53) SMN1; SMN2
SCHEMBL29969981 0.75 HRH4 (0.53) SMN1; SMN2
SCHEMBL3434282 0.75 GRIN2D (0.46) ALDH1A1SMN1; SMN2KMT2ANPSR1

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 ALDH1A1 975/4885SMN1; SMN2 3601/4885OPRK1 237/4885

“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.