SCHEMBL960085

SCHEMBL960085

NC(=S)Nc1cc(F)c(-n2cnc(Cl)c2)c(F)c1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.33
NPSR1 Q6W5P4 1/20 0.32
ALDH1A1 P00352 2/20 0.31
TP53 P04637 1/20 0.31
TYR P14679 1/20 0.31
TSHR P16473 1/20 0.31
TAS2R38 P59533 1/20 0.31
HSD17B10 Q99714 1/20 0.31
CD38 P28907 1/20 0.31
KMT2A Q03164 1/20 0.30

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
SCHEMBL961139 0.88 ALDH1A1 (0.34) ALDH1A1KMT2A
SCHEMBL960744 0.76 NR2E1 (0.33)
SCHEMBL962539 0.69 CYP1A2 (0.36) KDM4ENPSR1ALDH1A1TP53TYR
SCHEMBL961599 0.69 PSEN1 (0.46) ALDH1A1KMT2A
SCHEMBL963396 0.69 MALT1 (0.37) NPSR1ALDH1A1KMT2A
SCHEMBL12918151 0.69 NOS3 (0.40)
Iodide SCHEMBL962666 0.69 NOS3 (0.41)
Iodide SCHEMBL965244 0.68 PSEN1 (0.33)
SCHEMBL1617435 0.67 PSEN1 (0.45) KDM4E
SCHEMBL966728 0.64 JUN (0.35) ALDH1A1

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 6 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
CN-102356081-A Bicyclic compounds for the reduction of beta-amyloid production BRISTOL MYERS SQUIBB CO 2012-02-15 CN 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 KDM4E 4459/4885NPSR1 2314/4885ALDH1A1 1819/4885

“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.