SCHEMBL3435664

SCHEMBL3435664

NC(=O)CN1CCCN(c2ccccc2[N+](=O)[O-])CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.50
LMNA P02545 3/20 0.50
HTR1A P08908 1/20 0.49
HTT P42858 2/20 0.49
KMT2A Q03164 2/20 0.49
GAA P10253 2/20 0.48
GRM5 P41594 1/20 0.48
DRD4 P21917 2/20 0.47
DRD2 P14416 1/20 0.47
DRD3 P35462 1/20 0.47
KDM4E B2RXH2 1/20 0.47
POLB P06746 1/20 0.47
ALDH1A1 P00352 3/20 0.47
PKM P14618 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
ENPP2 Q13822 2/20 0.47
CYP3A4 P08684 1/20 0.45
BLM P54132 1/20 0.45
PMP22 Q01453 1/20 0.45
MEN1 O00255 1/20 0.45

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
SCHEMBL3435561 0.95 MAPT (0.54) MAPTLMNAHTR1AHTTKMT2A
SCHEMBL4628538 0.83 GRM5 (0.56) MAPTLMNAHTR1AHTTKMT2A
SCHEMBL7849084 0.82 DRD2 (0.54) MAPTLMNAHTR1AHTTKMT2A
SCHEMBL3435671 0.81 CYP1A2 (0.64) MAPTLMNAGRM5POLBALDH1A1
SCHEMBL3434236 0.81 MAPK1 (0.43) MAPTLMNAHTTKMT2AGAA
SCHEMBL3210388 0.81 DRD2 (0.59) MAPTLMNAHTR1AHTTKMT2A
SCHEMBL7118705 0.81 HTT (0.64) MAPTLMNAHTR1AHTTKMT2A
SCHEMBL3435104 0.80 KEAP1 (0.54) MAPTLMNAHTR1AKMT2AGAA
SCHEMBL3436358 0.79 LMNA (0.51) MAPTLMNAGAAKDM4EALDH1A1
Acetamide SCHEMBL28113497 0.79 ALDH1A1 (0.60) MAPTLMNAHTTKMT2AGAA

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 MAPT 1330/4885LMNA 4712/4885HTR1A 1745/4885

“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.