SCHEMBL960886

SCHEMBL960886

O=[N+]([O-])c1cc(F)c(-n2cnc(Cl)c2)c(F)c1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.37
TLR2 O60603 3/20 0.35
TLR1 Q15399 3/20 0.35
HIF1A Q16665 1/20 0.33
S1PR4 O95977 1/20 0.33
CYP19A1 P11511 1/20 0.32
KMT2A Q03164 2/20 0.32
KDM4E B2RXH2 1/20 0.32
GPR35 Q9HC97 1/20 0.32
HSD17B10 Q99714 1/20 0.32
POLB P06746 1/20 0.31
MAPT P10636 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
LMNA P02545 1/20 0.31
AMY1A P0DUB6 1/20 0.31
MEN1 O00255 1/20 0.31
TSHR P16473 1/20 0.31

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
SCHEMBL960165 0.87 HTT (0.40) ALDH1A1TLR2TLR1S1PR4KMT2A
SCHEMBL2253987 0.82 TSHR (0.38) ALDH1A1TLR2TLR1HIF1AS1PR4
SCHEMBL20085597 0.81 ALDH1A1 (0.47) ALDH1A1TLR2TLR1HIF1AS1PR4
SCHEMBL18157354 0.79 TP53 (0.40) ALDH1A1TLR2TLR1S1PR4KMT2A
SCHEMBL5924562 0.78 MAPT (0.37) ALDH1A1TLR2TLR1HIF1AS1PR4
SCHEMBL16083404 0.77 TLR2 (0.41) ALDH1A1TLR2TLR1HIF1AKMT2A
SCHEMBL8643676 0.72 ALDH1A1 (0.60) ALDH1A1HIF1ACYP19A1KMT2AKDM4E
SCHEMBL5924174 0.72 MAPT (0.47) ALDH1A1CYP19A1KMT2AMAPT
SCHEMBL2251883 0.72 PSEN1 (0.43) S1PR4KMT2AMAPTLMNAMEN1
SCHEMBL5924509 0.71 S1PR4 (0.31) ALDH1A1TLR2TLR1S1PR4MAPT

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 ALDH1A1 1819/4885TLR2 4804/4885TLR1 4870/4885

“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.