SCHEMBL960677

SCHEMBL960677

CCOC(=O)c1cn(-c2ccc([N+](=O)[O-])cc2OC)cn1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.49
GABRA2 P47869 1/20 0.47
GABRB2 P47870 1/20 0.47
ALDH1A1 P00352 5/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
MITF O75030 1/20 0.47
MAPT P10636 4/20 0.45
KMT2A Q03164 4/20 0.45
MEN1 O00255 1/20 0.45
TP53 P04637 1/20 0.45
HPGD P15428 1/20 0.45
RAB9A P51151 2/20 0.44
GAA P10253 1/20 0.43
F2 P00734 1/20 0.41
PLAU P00749 1/20 0.41
ELANE P08246 1/20 0.41
CTRB1 P17538 1/20 0.41
HTT P42858 2/20 0.41
PKM P14618 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
SCHEMBL512865 0.81 PSEN1 (0.50) KMT2AHTT
SCHEMBL1873105 0.80 NOTUM (0.62) NOTUMGABRA2GABRB2ALDH1A1SMN1; SMN2
SCHEMBL1041160 0.80 KMT2A (0.45) ALDH1A1SMN1; SMN2MAPTKMT2AMEN1
SCHEMBL16402907 0.79 HTT (0.49) ALDH1A1SMN1; SMN2MAPTKMT2AHTT
SCHEMBL513388 0.78 HTT (0.51) ALDH1A1SMN1; SMN2MAPTKMT2AHPGD
SCHEMBL1041283 0.78 HTT (0.48) ALDH1A1SMN1; SMN2MAPTKMT2AHTT
SCHEMBL9369901 0.77 MAPT (0.53) NOTUMGABRA2GABRB2ALDH1A1SMN1; SMN2
SCHEMBL961730 0.76 HTT (0.46) ALDH1A1SMN1; SMN2MAPTKMT2AMEN1
SCHEMBL10257666 0.75 HTT (0.45) ALDH1A1SMN1; SMN2MAPTKMT2AMEN1
SCHEMBL962880 0.75 HTT (0.45) ALDH1A1SMN1; SMN2MAPTKMT2AHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2379553-B1 BICYCLIC COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION BRISTOL MYERS SQUIBB CO (US) 2013-06-26 EP disclosed
US-8349880-B2 Bicyclic compounds for the reduction of beta-amyloid production BRISTOL-MYERS SQUIBB COMPANY (US) 2013-01-08 US disclosed
EP-2379553-A1 BICYCLIC COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION Bristol-Myers Squibb Company (US) 2011-10-26 EP disclosed
US-20110015175-A1 Bicyclic Compounds for the Reduction of Beta-Amyloid Production BRISTOL-MYERS SQUIBB COMPANY 2011-01-20 US disclosed
WO-2010083141-A1 BICYCLIC COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION BRISTOL-MYERS SQUIBB COMPANY (US) 2010-07-22 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-20110015175-A1 Bicyclic Compounds for the Reduction of Beta-Amyloid Production APP, BACE1, APBA1 NOTUM 853/4885GABRA2 1055/4885GABRB2 433/4885

“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.