SCHEMBL961730

SCHEMBL961730

COc1cc([N+](=O)[O-])ccc1-n1cnc(C=O)c1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.46
LMNA P02545 6/20 0.44
TLR2 O60603 1/20 0.42
TLR1 Q15399 1/20 0.42
TDP1 Q9NUW8 2/20 0.42
ERN1 O75460 1/20 0.41
MAPT P10636 5/20 0.41
ALDH1A1 P00352 4/20 0.41
KMT2A Q03164 4/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
MAPK1 P28482 2/20 0.41
PKM P14618 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
PDGFRB P09619 1/20 0.39
PDGFRA P16234 1/20 0.39
MEN1 O00255 2/20 0.39
POLB P06746 1/20 0.39

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
SCHEMBL16402907 0.84 HTT (0.49) HTTLMNATLR2TLR1TDP1
SCHEMBL512865 0.84 PSEN1 (0.50) HTTLMNAKMT2A
SCHEMBL513388 0.82 HTT (0.51) HTTLMNATLR2TLR1TDP1
SCHEMBL1041283 0.82 HTT (0.48) HTTLMNATLR2TLR1TDP1
SCHEMBL4019860 0.81 ALDH1A1 (0.45) HTTLMNATLR2TLR1ERN1
SCHEMBL511516 0.80 LMNA (0.45) HTTLMNATLR2TLR1TDP1
SCHEMBL962880 0.80 HTT (0.45) HTTLMNATLR2TLR1TDP1
SCHEMBL10257666 0.80 HTT (0.45) HTTLMNATLR2TLR1TDP1
SCHEMBL1041160 0.80 KMT2A (0.45) HTTLMNATLR2TLR1TDP1
SCHEMBL960677 0.76 NOTUM (0.49) HTTMAPTALDH1A1KMT2ASMN1; SMN2

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 HTT 105/4885LMNA 1290/4885TLR2 4804/4885

“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.