SCHEMBL3434498

SCHEMBL3434498

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

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.47
ALDH1A1 P00352 2/20 0.47
MDM2 Q00987 14/20 0.47
HSP90AA1 P07900 1/20 0.44
HSP90AB1 P08238 1/20 0.44
MEN1 O00255 1/20 0.44
MAPT P10636 1/20 0.44
KMT2A Q03164 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
POLB P06746 1/20 0.41
LMNA P02545 1/20 0.39

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
SCHEMBL3436553 0.85 SMN1; SMN2 (0.44) SMN1; SMN2ALDH1A1MDM2HSP90AA1HSP90AB1
SCHEMBL3434342 0.84 MEN1 (0.40) SMN1; SMN2ALDH1A1MDM2HSP90AA1HSP90AB1
SCHEMBL3434295 0.84 CYP1A2 (0.44) SMN1; SMN2ALDH1A1HSP90AA1HSP90AB1MEN1
SCHEMBL3435704 0.84 ALDH1A1 (0.42) SMN1; SMN2ALDH1A1HSP90AA1HSP90AB1MEN1
SCHEMBL3435069 0.81 ALDH1A1 (0.45) SMN1; SMN2ALDH1A1HSP90AA1HSP90AB1MEN1
SCHEMBL3435695 0.77 CYP3A4 (0.52) SMN1; SMN2ALDH1A1MDM2MAPTLMNA
SCHEMBL2079365 0.75 POLB (0.57) SMN1; SMN2ALDH1A1MDM2HSP90AA1HSP90AB1
SCHEMBL3434282 0.75 GRIN2D (0.46) SMN1; SMN2ALDH1A1MDM2KMT2ANPSR1
SCHEMBL13106057 0.75 MDM2 (0.44) MDM2LMNA
SCHEMBL22587541 0.75 ALDH1A1 (0.49) ALDH1A1MEN1KMT2ANPSR1POLB

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 SMN1; SMN2 3601/4885ALDH1A1 975/4885MDM2 1268/4885

“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.