SCHEMBL3434444

SCHEMBL3434444

N#CCc1c(F)c(Cl)cc(N)c1N1CCN(CC(N)=O)CC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.36
HSP90AB1 P08238 1/20 0.36
SCN9A Q15858 1/20 0.36
CYP1A2 P05177 2/20 0.34
CYP3A4 P08684 2/20 0.34
CYP2C9 P11712 2/20 0.34
CYP2C19 P33261 2/20 0.34
GAA P10253 1/20 0.34
ALDH1A1 P00352 3/20 0.32
PGR P06401 1/20 0.32
HTR4 Q13639 2/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
MAPT P10636 2/20 0.30
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
LMNA P02545 1/20 0.30
CYP2D6 P10635 1/20 0.30
TSHR P16473 1/20 0.30
KMT2A Q03164 1/20 0.30
ADORA2B P29275 1/20 0.30

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
SCHEMBL3436581 0.88 ALDH1A1 (0.38) HSP90AA1HSP90AB1SCN9ACYP1A2CYP3A4
SCHEMBL3436005 0.84 MAPK1 (0.36) HSP90AA1HSP90AB1SCN9ACYP3A4GAA
SCHEMBL14000118 0.83 ALDH1A1 (0.32) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL3436197 0.76 CYP1A2 (0.38) CYP1A2CYP3A4CYP2C9CYP2C19GAA
SCHEMBL13999802 0.74 HSP90AA1 (0.38) HSP90AA1HSP90AB1SCN9ACYP1A2CYP3A4
SCHEMBL13999778 0.73 GAA (0.39) SCN9ACYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL3434442 0.73 POLB (0.38) SCN9ACYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL2077266 0.71 GAA (0.40) HSP90AA1HSP90AB1SCN9ACYP1A2CYP3A4
SCHEMBL3435589 0.71 GAA (0.43) HSP90AA1HSP90AB1SCN9ACYP1A2CYP3A4
SCHEMBL3556808 0.70 AOC3 (0.41) CYP1A2CYP3A4CYP2C9CYP2C19GAA

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 HSP90AA1 3446/4885HSP90AB1 3216/4885SCN9A 3594/4885

“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.