SCHEMBL3436558

SCHEMBL3436558

Cc1cc(Br)cnc1N1CCN(CC(N)=O)CC1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.43
ALDH1A1 P00352 2/20 0.41
OPRK1 P41145 14/20 0.41
MEN1 O00255 1/20 0.40
POLB P06746 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
HSP90AA1 P07900 1/20 0.38
HSP90AB1 P08238 1/20 0.38

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
SCHEMBL3436557 0.86 MEN1 (0.46) KMT2AALDH1A1OPRK1MEN1POLB
SCHEMBL3435704 0.85 ALDH1A1 (0.42) KMT2AALDH1A1OPRK1MEN1SMN1; SMN2
SCHEMBL3436553 0.84 SMN1; SMN2 (0.44) KMT2AALDH1A1OPRK1MEN1POLB
SCHEMBL3436532 0.84 CHRM1 (0.45) KMT2AALDH1A1OPRK1MEN1POLB
SCHEMBL3435067 0.80 ALDH1A1 (0.45) ALDH1A1OPRK1SMN1; SMN2HSP90AA1HSP90AB1
SCHEMBL13999797 0.77 AOC3 (0.38) KMT2AALDH1A1MEN1POLBSMN1; SMN2
SCHEMBL3436568 0.77 AOC3 (0.38) KMT2AALDH1A1MEN1POLBSMN1; SMN2
SCHEMBL3436563 0.77 AOC3 (0.38) KMT2AALDH1A1MEN1POLBSMN1; SMN2
SCHEMBL3558817 0.77 ALDH1A1 (0.38) KMT2AALDH1A1MEN1POLBSMN1; SMN2
SCHEMBL3434342 0.77 MEN1 (0.40) KMT2AALDH1A1OPRK1MEN1POLB

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 KMT2A 1707/4885ALDH1A1 975/4885OPRK1 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.