SCHEMBL3435951

SCHEMBL3435951

[C-]#[N+]c1ccc(N2CCN(CC(N)=O)CC2)c([N+](=O)[O-])c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.48
CYP3A4 P08684 2/20 0.48
BLM P54132 1/20 0.48
PMP22 Q01453 1/20 0.48
ALDH1A1 P00352 7/20 0.47
GAA P10253 4/20 0.47
PKM P14618 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
POLB P06746 2/20 0.46
CTPS1 P17812 1/20 0.46
HTT P42858 4/20 0.46
LMNA P02545 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
CYP1A2 P05177 2/20 0.45
CYP2D6 P10635 2/20 0.45
CYP2C9 P11712 2/20 0.45
CYP2C19 P33261 2/20 0.45
KDM4E B2RXH2 2/20 0.45
TDP1 Q9NUW8 2/20 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
SCHEMBL3436164 0.82 LMNA (0.54) MAPTCYP3A4BLMPMP22ALDH1A1
SCHEMBL2080950 0.82 L3MBTL1 (0.63) MAPTCYP3A4BLMPMP22ALDH1A1
SCHEMBL2080668 0.82 MAPT (0.53) MAPTCYP3A4BLMPMP22ALDH1A1
SCHEMBL3436159 0.82 MAPT (0.61) MAPTCYP3A4BLMPMP22ALDH1A1
SCHEMBL3436235 0.82 KDM4E (0.43) MAPTCYP3A4ALDH1A1GAAL3MBTL1
SCHEMBL3436838 0.81 MAPT (0.43) MAPTALDH1A1GAAPOLBHTT
SCHEMBL2076697 0.80 MAPT (0.64) MAPTCYP3A4BLMPMP22ALDH1A1
SCHEMBL3436144 0.80 MAPT (0.65) MAPTCYP3A4BLMPMP22ALDH1A1
SCHEMBL3435109 0.79 MAPT (0.67) MAPTALDH1A1GAAPKML3MBTL1
SCHEMBL3435484 0.79 ALDH1A1 (0.51) MAPTCYP3A4BLMPMP22ALDH1A1

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.