SCHEMBL4892299

SCHEMBL4892299

CCOc1ccc([N+](=O)[O-])c(Nc2cccnc2)c1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.51
KMT2A Q03164 4/20 0.50
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
MEN1 O00255 2/20 0.50
MAPT P10636 3/20 0.49
ALPL P05186 1/20 0.49
PKM P14618 1/20 0.49
ALDH1A1 P00352 3/20 0.49
TSHR P16473 1/20 0.47
KDM4E B2RXH2 1/20 0.46
GAA P10253 1/20 0.46
HTT P42858 1/20 0.46
MITF O75030 1/20 0.45
POLB P06746 1/20 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
SCHEMBL4903737 0.85 NPC1 (0.57) LMNAKMT2ANPC1RAB9AMEN1
SCHEMBL7975715 0.85 RAB9A (0.56) LMNAKMT2ANPC1RAB9AMEN1
SCHEMBL4899234 0.79 ALDH1A1 (0.51) LMNAKMT2ANPC1RAB9AMEN1
SCHEMBL8886349 0.79 MAPT (0.59) LMNAKMT2ANPC1RAB9AMEN1
SCHEMBL4905065 0.79 MEN1 (0.55) LMNAKMT2ANPC1RAB9AMEN1
SCHEMBL22190974 0.78 ALDH1A1 (0.51) KMT2ANPC1RAB9AMEN1MAPT
SCHEMBL2501948 0.78 ALDH1A1 (0.56) KMT2ANPC1RAB9AMEN1MAPT
SCHEMBL5763687 0.77 ALDH1A1 (0.51) LMNAKMT2ANPC1RAB9AMEN1
SCHEMBL8886856 0.76 KMT2A (0.55) LMNAKMT2ANPC1RAB9AMEN1
SCHEMBL4942857 0.76 ALDH1A1 (0.68) KMT2ANPC1RAB9AMEN1MAPT

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 LMNA 3496/4885KMT2A 2814/4885NPC1 2122/4885

“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.