SCHEMBL4903737

SCHEMBL4903737

CCOc1ccc([N+](=O)[O-])c(Nc2ccncc2)c1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.57
RAB9A P51151 4/20 0.57
KMT2A Q03164 4/20 0.57
MEN1 O00255 2/20 0.57
MAPT P10636 5/20 0.53
LMNA P02545 5/20 0.53
ALDH1A1 P00352 4/20 0.53
HTT P42858 3/20 0.50
GAA P10253 1/20 0.50
MAPK1 P28482 2/20 0.49
SMN1; SMN2 Q16637 3/20 0.45
IDO1 P14902 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
PKM P14618 1/20 0.44
POLB P06746 1/20 0.44
MITF O75030 1/20 0.43
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 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
SCHEMBL7975715 0.87 RAB9A (0.56) NPC1RAB9AKMT2AMEN1MAPT
SCHEMBL8886349 0.86 MAPT (0.59) NPC1RAB9AKMT2AMEN1MAPT
SCHEMBL4892299 0.85 LMNA (0.51) NPC1RAB9AKMT2AMEN1MAPT
SCHEMBL8886856 0.82 KMT2A (0.55) NPC1RAB9AKMT2AMEN1MAPT
SCHEMBL4905065 0.80 MEN1 (0.55) NPC1RAB9AKMT2AMEN1MAPT
SCHEMBL4932353 0.80 MEN1 (0.60) NPC1RAB9AKMT2AMEN1MAPT
SCHEMBL471095 0.79 MAPT (0.63) NPC1RAB9AKMT2AMEN1MAPT
SCHEMBL7402604 0.78 MAPT (0.66) NPC1RAB9AKMT2AMEN1MAPT
SCHEMBL14463550 0.78 KMT2A (0.58) NPC1RAB9AKMT2AMEN1MAPT
SCHEMBL4892335 0.77 KMT2A (0.46) NPC1RAB9AKMT2AMEN1MAPT

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 3 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

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 NPC1 2122/4885RAB9A 888/4885KMT2A 2814/4885

“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.