SCHEMBL3435633

SCHEMBL3435633

NC(=O)C1CCN(c2ccncc2[N+](=O)[O-])CC1

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.62
MAPT P10636 8/20 0.59
L3MBTL1 Q9Y468 2/20 0.59
CYP3A4 P08684 2/20 0.59
CYP1A2 P05177 1/20 0.59
CYP2D6 P10635 1/20 0.59
CYP2C9 P11712 1/20 0.59
CYP2C19 P33261 1/20 0.59
ALDH1A1 P00352 5/20 0.54
TDP1 Q9NUW8 1/20 0.49
NPC1 O15118 1/20 0.47
CTPS1 P17812 1/20 0.47
HTT P42858 3/20 0.46
TP53 P04637 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
LMNA P02545 1/20 0.43
GAA P10253 1/20 0.42
PKM P14618 1/20 0.42

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
SCHEMBL20189964 0.82 MAPT (0.50) POLBMAPTCYP3A4CYP1A2CYP2D6
SCHEMBL3436153 0.81 MAPT (0.68) POLBMAPTL3MBTL1CYP3A4CYP1A2
SCHEMBL3436045 0.80 CYP3A4 (0.51) POLBMAPTL3MBTL1CYP3A4ALDH1A1
SCHEMBL1940737 0.80 CYP3A4 (0.67) POLBMAPTL3MBTL1CYP3A4ALDH1A1
SCHEMBL14334947 0.79 MAPT (0.48) POLBMAPTALDH1A1TDP1CTPS1
SCHEMBL9425659 0.79 MAPT (0.67) POLBMAPTL3MBTL1CYP1A2CYP2C9
SCHEMBL1938489 0.79 CYP3A4 (0.50) POLBMAPTL3MBTL1CYP3A4ALDH1A1
SCHEMBL3436398 0.79 CYP3A4 (0.50) CYP3A4ALDH1A1TDP1LMNAGAA
SCHEMBL20190115 0.78 ALDH1A1 (0.58) POLBMAPTALDH1A1TDP1CTPS1
SCHEMBL4438134 0.78 MAPT (0.46) POLBMAPTCYP3A4CYP1A2CYP2D6

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 POLB 4512/4885MAPT 1330/4885L3MBTL1 3267/4885

“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.