SCHEMBL960165

SCHEMBL960165

COc1cc([N+](=O)[O-])cc(F)c1-n1cnc(Cl)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.40
LMNA P02545 3/20 0.37
ERN1 O75460 1/20 0.36
S1PR4 O95977 2/20 0.35
PKM P14618 1/20 0.34
MAPT P10636 4/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
KMT2A Q03164 2/20 0.34
HPGD P15428 2/20 0.34
NPC1 O15118 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
RAB9A P51151 1/20 0.34
MPI P34949 1/20 0.34
ALDH1A1 P00352 2/20 0.34
TDP1 Q9NUW8 1/20 0.33
MAPK1 P28482 1/20 0.33

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
SCHEMBL960886 0.87 ALDH1A1 (0.37) LMNAS1PR4MAPTKMT2AALDH1A1
SCHEMBL2251883 0.86 PSEN1 (0.43) HTTLMNAERN1S1PR4PKM
SCHEMBL513419 0.78 HTT (0.41) HTTLMNAPKMMAPTSMN1; SMN2
SCHEMBL513388 0.78 HTT (0.51) HTTLMNAPKMMAPTSMN1; SMN2
SCHEMBL966778 0.74 LMNA (0.38) HTTLMNAERN1S1PR4PKM
SCHEMBL18157354 0.73 TP53 (0.40) LMNAS1PR4PKMKMT2AALDH1A1
SCHEMBL2253987 0.73 TSHR (0.38) S1PR4MAPTALDH1A1PSEN1PSEN2
SCHEMBL20085597 0.73 ALDH1A1 (0.47) HTTLMNAS1PR4MAPTKMT2A
SCHEMBL27464378 0.72 HTT (0.49) HTTLMNAERN1PKMMAPT
SCHEMBL961719 0.72 PSEN1 (0.31) PSEN1PSEN2APH1BNCSTNAPH1A

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 1290/4885ERN1 3065/4885

“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.