SCHEMBL3435480

SCHEMBL3435480

CN1CCN(c2cccc(C(N)=O)c2[N+](=O)[O-])CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.48
CYP3A4 P08684 1/20 0.48
BLM P54132 1/20 0.48
PMP22 Q01453 1/20 0.48
ALDH1A1 P00352 9/20 0.47
LMNA P02545 2/20 0.47
GAA P10253 1/20 0.47
NPC1 O15118 2/20 0.46
WDR5 P61964 3/20 0.45
KMT2A Q03164 2/20 0.45
POLB P06746 1/20 0.45
PARP1 P09874 1/20 0.44
CYP2D6 P10635 1/20 0.44
MEN1 O00255 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
MITF O75030 1/20 0.44
CSF1R P07333 1/20 0.44
KDM4E B2RXH2 1/20 0.44
HSD17B10 Q99714 1/20 0.44
SIRT6 Q8N6T7 1/20 0.43

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
SCHEMBL6571203 0.93 MAPT (0.54) MAPTCYP3A4BLMPMP22ALDH1A1
SCHEMBL27763626 0.89 ALDH1A1 (0.52) MAPTCYP3A4ALDH1A1LMNAGAA
SCHEMBL28086239 0.84 ALDH1A1 (0.52) MAPTCYP3A4BLMPMP22ALDH1A1
SCHEMBL31729425 0.84 ALDH1A1 (0.52) MAPTCYP3A4BLMPMP22ALDH1A1
SCHEMBL4934814 0.83 MAPT (0.55) MAPTCYP3A4BLMPMP22ALDH1A1
SCHEMBL30947765 0.80 ALDH1A1 (0.39) MAPTCYP3A4BLMPMP22ALDH1A1
SCHEMBL1509487 0.80 ADRA2C (0.58) MAPTALDH1A1LMNAGAANPC1
SCHEMBL3081421 0.79 NPC1 (0.70) MAPTALDH1A1LMNAGAANPC1
SCHEMBL3434271 0.79 KDM4E (0.52) MAPTALDH1A1LMNANPC1KMT2A
SCHEMBL3436295 0.79 NPC1 (0.51) MAPTALDH1A1LMNAGAANPC1

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 1330/4885CYP3A4 1991/4885BLM 4861/4885

“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.