SCHEMBL4382288

SCHEMBL4382288

Cc1ccc([N+](=O)[O-])c(NCC2CCCCC2)c1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KAT2B Q92831 3/20 0.53
MAPT P10636 3/20 0.47
HTT P42858 2/20 0.47
ALDH1A1 P00352 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
CYP3A4 P08684 1/20 0.45
TSHR P16473 1/20 0.45
GRK6 P43250 2/20 0.44
ALOX12 P18054 1/20 0.43
PRKCQ Q04759 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
NPC1 O15118 1/20 0.41
GAA P10253 1/20 0.41
PKM P14618 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL14261252 0.86 NPC1 (0.44) KAT2BMAPTHTTALDH1A1SMN1; SMN2
SCHEMBL1528590 0.84 MAPT (0.47) MAPTHTTALDH1A1SMN1; SMN2ALOX12
SCHEMBL8885926 0.84 ALDH1A1 (0.52) MAPTHTTALDH1A1SMN1; SMN2TSHR
SCHEMBL15099939 0.82 KAT2B (0.46) KAT2BMAPTALDH1A1GRK6PRKCQ
SCHEMBL9604230 0.82 KAT2B (0.58) KAT2BMAPTHTTALDH1A1SMN1; SMN2
SCHEMBL1528454 0.80 HPGD (0.56) MAPTHTTALDH1A1L3MBTL1PKM
SCHEMBL23997424 0.80 ALDH1A1 (0.51) KAT2BMAPTHTTALDH1A1SMN1; SMN2
SCHEMBL26161783 0.80 ALOX12 (0.57) KAT2BMAPTHTTALDH1A1CYP3A4
SCHEMBL5955184 0.80 MAPT (0.57) MAPTHTTALDH1A1SMN1; SMN2CYP3A4
SCHEMBL5956104 0.79 MMP13 (0.47) MAPTHTTALDH1A1SMN1; SMN2L3MBTL1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090298811-A1 BENZIMIDAZOLONE DERIVATIVES PFIZER INC 2009-12-03 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-20090298811-A1 BENZIMIDAZOLONE DERIVATIVES TRPV1, CNR1, CNR2 KAT2B 741/4885MAPT 1466/4885HTT 2456/4885

“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.