SCHEMBL962535

SCHEMBL962535

COc1cc([N+](=O)[O-])cc(F)c1F

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.51
ERN1 O75460 1/20 0.49
TDP1 Q9NUW8 2/20 0.46
ALDH1A1 P00352 4/20 0.43
PKM P14618 1/20 0.43
HIF1A Q16665 1/20 0.43
MAPT P10636 2/20 0.42
KDM4E B2RXH2 1/20 0.42
CYP3A4 P08684 1/20 0.42
ALOX15 P16050 1/20 0.42
PRKDC P78527 1/20 0.42
HSD17B10 Q99714 1/20 0.42
PTGS2 P35354 2/20 0.41
CYP19A1 P11511 1/20 0.41
TSHR P16473 1/20 0.41
LMNA P02545 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HSPB1 P04792 2/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 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
SCHEMBL30682916 0.84 HTT (0.50) HTTERN1TDP1ALDH1A1PKM
SCHEMBL1766238 0.84 HTT (0.50) HTTERN1TDP1ALDH1A1PKM
SCHEMBL26426539 0.84 HTT (0.50) HTTERN1TDP1ALDH1A1PKM
SCHEMBL27464378 0.82 HTT (0.49) HTTERN1TDP1ALDH1A1PKM
SCHEMBL14871877 0.82 ALDH1A1 (0.50) HTTERN1TDP1ALDH1A1PKM
SCHEMBL5001333 0.80 RECQL (0.42) HTTERN1TDP1ALDH1A1PKM
SCHEMBL239666 0.80 CYP19A1 (0.52) HTTTDP1ALDH1A1HIF1AMAPT
SCHEMBL2536611 0.79 GRIN2D (0.47) HTTERN1TDP1ALDH1A1HIF1A
SCHEMBL122944 0.78 HTT (0.66) HTTTDP1ALDH1A1PKMHIF1A
SCHEMBL296681 0.78 TDP1 (0.64) HTTTDP1ALDH1A1PKMHIF1A

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 105/4885ERN1 3065/4885TDP1 1618/4885

“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.