SCHEMBL3435634

SCHEMBL3435634

O=[N+]([O-])c1ccc(F)c(F)c1C1=CCNCC1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 7/20 0.44
HTR2A P28223 5/20 0.44
SIGMAR1 Q99720 2/20 0.40
HTR2C P28335 10/20 0.39
HTR7 P34969 2/20 0.38
HTR2B P41595 1/20 0.37
QDPR P09417 1/20 0.36
CASP6 P55212 1/20 0.35
MAPT P10636 2/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
HTT P42858 1/20 0.35
RAD52 P43351 1/20 0.35
HTR1B P28222 1/20 0.35
HTR3A P46098 1/20 0.35
ATM Q13315 1/20 0.35
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL3436181 0.83 HTR6 (0.46) HTR6HTR2ASIGMAR1HTR2CHTR7
SCHEMBL3817869 0.78 SIGMAR1 (0.50) HTR6HTR2ASIGMAR1HTR2CQDPR
SCHEMBL3435090 0.78 HTR6 (0.44) HTR6HTR2ASIGMAR1HTR2CHTR7
SCHEMBL12895284 0.75 QDPR (0.51) HTR6HTR2ASIGMAR1HTR2CHTR7
SCHEMBL13999800 0.75 SIGMAR1 (0.45) HTR6HTR2ASIGMAR1HTR2CHTR7
SCHEMBL3547866 0.74 SIGMAR1 (0.41) HTR6HTR2ASIGMAR1HTR2CHTR7
SCHEMBL6410070 0.72 HTR6 (0.53) HTR6HTR2ASIGMAR1HTR2CALDH1A1
SCHEMBL5020013 0.71 CCNT1 (0.48) HTR6HTR2ASIGMAR1HTR2CHTR7
Hydrochloric Acid SCHEMBL1513499 0.71 HTR2C (0.53) HTR6HTR2ASIGMAR1HTR2CHTR7
SCHEMBL4790049 0.71 HTR2C (0.53) HTR6HTR2ASIGMAR1HTR2CHTR7

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 3 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
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 HTR6 2254/4885HTR2A 2045/4885SIGMAR1 1460/4885

“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.