SCHEMBL3435707

SCHEMBL3435707

NC(=O)CN1CCN(c2cc(Cl)ccc2N)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 1/20 0.52
HSP90AA1 P07900 1/20 0.48
HSP90AB1 P08238 1/20 0.48
ALDH1A1 P00352 5/20 0.45
LMNA P02545 2/20 0.44
MAPT P10636 1/20 0.44
POLB P06746 1/20 0.43
DPP4 P27487 1/20 0.43
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
ADRA1B P35368 2/20 0.42
TSHR P16473 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
GFER P55789 1/20 0.42
DRD2 P14416 1/20 0.41
DRD4 P21917 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HTT P42858 2/20 0.41
KDM4E B2RXH2 1/20 0.41
HTR1A P08908 1/20 0.40

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
SCHEMBL2079365 0.89 POLB (0.57) HSP90AA1HSP90AB1ALDH1A1LMNAMAPT
SCHEMBL3436298 0.84 ALDH1A1 (0.64) NR1H4ALDH1A1MAPTKMT2AMEN1
SCHEMBL3435658 0.83 GAA (0.48) HSP90AA1HSP90AB1ALDH1A1MAPTPOLB
SCHEMBL3435716 0.83 ALDH1A1 (0.50) HSP90AA1HSP90AB1ALDH1A1MAPTPOLB
SCHEMBL3435654 0.83 ALDH1A1 (0.50) HSP90AA1HSP90AB1ALDH1A1LMNAMAPT
SCHEMBL3436301 0.82 AKR1C3 (0.55) HSP90AA1HSP90AB1ALDH1A1LMNAMAPT
SCHEMBL3435506 0.80 MAPT (0.65) HSP90AA1HSP90AB1ALDH1A1LMNAMAPT
SCHEMBL3434270 0.80 GAA (0.46) ALDH1A1MAPTKMT2AMEN1TSHR
SCHEMBL2077401 0.79 ADRA2C (0.53) HSP90AA1HSP90AB1ALDH1A1LMNAMAPT
SCHEMBL2080950 0.78 L3MBTL1 (0.63) ALDH1A1LMNAMAPTPOLBKMT2A

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 2 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-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 NR1H4 1167/4885HSP90AA1 3446/4885HSP90AB1 3216/4885

“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.