SCHEMBL3435994

SCHEMBL3435994

C[C@@H]1CN(c2ccccc2[N+](=O)[O-])C[C@H](C)N1CC(N)=O

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.53
LMNA P02545 6/20 0.47
ALDH1A1 P00352 4/20 0.47
KMT2A Q03164 4/20 0.43
HTT P42858 3/20 0.43
SIRT2 Q8IXJ6 1/20 0.43
SIRT1 Q96EB6 1/20 0.43
CTPS1 P17812 1/20 0.41
MAPT P10636 7/20 0.40
GAA P10253 1/20 0.40
GRM5 P41594 1/20 0.40
MAPK1 P28482 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
SLC12A2 P55011 1/20 0.40
SLC12A5 Q9H2X9 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
MEN1 O00255 3/20 0.39
ENPP2 Q13822 2/20 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
SCHEMBL3436281 0.80 AR (0.44) ALDH1A1SIRT2SIRT1MAPTSMN1; SMN2
SCHEMBL3435649 0.80 MEN1 (0.45) HTR1AALDH1A1KMT2ASIRT2SIRT1
SCHEMBL3436233 0.79 SLC6A9 (0.49) HTR1ALMNAALDH1A1KMT2AHTT
SCHEMBL3434159 0.79 SLC6A9 (0.49) HTR1ALMNAALDH1A1KMT2AHTT
SCHEMBL3435561 0.76 MAPT (0.54) HTR1ALMNAALDH1A1KMT2AHTT
SCHEMBL2078646 0.73 HTT (0.51) HTR1ALMNAALDH1A1KMT2AHTT
SCHEMBL2078649 0.73 HTT (0.51) HTR1ALMNAALDH1A1KMT2AHTT
SCHEMBL14207172 0.73 KMT2A (0.51) HTR1ALMNAALDH1A1KMT2AHTT
SCHEMBL3435503 0.73 HTT (0.51) HTR1ALMNAALDH1A1KMT2AHTT
SCHEMBL3798458 0.73 HTR1A (0.44) HTR1ALMNAALDH1A1KMT2AHTT

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 HTR1A 1745/4885LMNA 4712/4885ALDH1A1 975/4885

“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.