SCHEMBL4905065

SCHEMBL4905065

CCOc1ccc([N+](=O)[O-])c(Nc2ccccn2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 8/20 0.55
KMT2A Q03164 8/20 0.55
MAPT P10636 10/20 0.51
ALDH1A1 P00352 5/20 0.51
LMNA P02545 3/20 0.51
RAB9A P51151 9/20 0.51
NPC1 O15118 8/20 0.51
KDM4E B2RXH2 2/20 0.51
MITF O75030 1/20 0.51
SMN1; SMN2 Q16637 5/20 0.47
MAPK1 P28482 5/20 0.47
PKM P14618 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
POLB P06746 1/20 0.47
NPSR1 Q6W5P4 2/20 0.46
HTT P42858 2/20 0.46
TDP2 O95551 1/20 0.46
HSP90AA1 P07900 1/20 0.46
CASP3 P42574 1/20 0.46
BLM P54132 1/20 0.46

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
SCHEMBL7975715 0.82 RAB9A (0.56) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL6832746 0.81 MEN1 (0.61) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL4903737 0.80 NPC1 (0.57) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL8884987 0.79 MAPT (0.52) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL4892299 0.79 LMNA (0.51) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL19062115 0.78 MEN1 (0.61) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL4898979 0.78 GRM5 (0.49) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL11900688 0.78 MEN1 (0.61) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL4929418 0.78 MEN1 (0.61) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL31220866 0.78 MEN1 (0.68) MEN1KMT2AMAPTALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080132551-A1 Positive allosteric modulators of the nicotinic acetylcholine receptor PFIZER INC 2008-06-05 US disclosed
EP-1611128-A2 POSITIVE ALLOSTERIC MODULATORS OF THE NICOTINIC ACETYLCHOLINE RECEPTOR Pharmacia & Upjohn Company LLC (US) 2006-01-04 EP disclosed
WO-2004085433-A2 POSITIVE ALLOSTERIC MODULATORS OF THE NICOTINIC ACETYLCHOLINE RECEPTOR PHARMACIA & UPJOHN COMPANY LLC (US) 2004-10-07 WO disclosed
US-5661169-A HAVE AFFINITY FOR VASOPRESSIN AND/OR OXYTOCIN RECEPTORS SANOFI (FR) 1997-08-26 US disclosed
US-5585394-A INHIBITOR, ANTAGONIST OF VASOPRESSIN OR OXYTOCIN SANOFI (FR) 1996-12-17 US disclosed
EP-0694536-A1 1-Benzyl-1,3-dihydro-2H-benzimidazol-2-one derivatives, their preparation and pharmaceutical compositions containing them SANOFI (FR) 1996-01-31 EP disclosed
EP-0636614-A1 Derivatives of 1-benzenesulfonyl-1,3-dihydro-2H-benzimidazol-2-one, their preparation and pharmaceutical compositions containing them SANOFI (FR) 1995-02-01 EP 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-20080132551-A1 Positive allosteric modulators of the nicotinic acetylcholine receptor CHRNA1, CHRNA7, CHRNA5 MEN1 3753/4885KMT2A 2814/4885MAPT 1408/4885

“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.