SCHEMBL360432

SCHEMBL360432

C=CCOc1cc([N+](=O)[O-])ccc1-n1cnc(Cl)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR2 O60603 4/20 0.38
TLR1 Q15399 4/20 0.38
IDO1 P14902 1/20 0.36
HTT P42858 2/20 0.35
MAPT P10636 4/20 0.34
GAA P10253 2/20 0.34
LMNA P02545 5/20 0.34
TDP1 Q9NUW8 1/20 0.34
HTR1A P08908 1/20 0.34
KMT2A Q03164 2/20 0.34
ALDH1A1 P00352 2/20 0.34
AMY1A P0DUB6 1/20 0.34
MAPK1 P28482 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
PKM P14618 1/20 0.34
WDR5 P61964 1/20 0.34
TSHR P16473 1/20 0.33
RAB9A P51151 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
SCHEMBL513388 0.82 HTT (0.51) TLR2TLR1HTTMAPTLMNA
SCHEMBL10279322 0.82 MAPT (0.41) TLR2TLR1HTTMAPTGAA
SCHEMBL361336 0.81 TSHR (0.35) GAAALDH1A1MAPK1TSHRHSD17B10
SCHEMBL10352511 0.81 CYP19A1 (0.43) IDO1LMNAKMT2ARAB9A
SCHEMBL10279324 0.79 S1PR4 (0.38) TLR2TLR1HTTMAPTGAA
SCHEMBL368643 0.79 RAB9A (0.45) TLR2TLR1MAPTLMNATDP1
SCHEMBL28804646 0.77 IDO1 (0.38) IDO1HTTMAPTGAALMNA
SCHEMBL362014 0.76 HSD17B10 (0.50) HTTMAPTGAALMNAKMT2A
SCHEMBL30764047 0.76 HSD17B10 (0.50) HTTMAPTGAALMNAKMT2A
SCHEMBL20085597 0.75 ALDH1A1 (0.47) TLR2TLR1HTTMAPTGAA

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2593461-B1 COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION BRISTOL MYERS SQUIBB CO (US) 2016-08-17 EP disclosed
EP-2593461-B1 COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION BRISTOL MYERS SQUIBB CO (US) 2016-08-17 EP disclosed
CN-102971325-B For reducing the compound that amyloid-beta produces BRISTOL-MYERS SQUIBB CO. (US) 2016-01-20 CN disclosed
US-8637523-B2 Compounds for the reduction of beta-amyloid production BRISTOL-MYERS SQUIBB COMPANY (US) 2014-01-28 US disclosed
US-8637523-B2 Compounds for the reduction of beta-amyloid production BRISTOL-MYERS SQUIBB COMPANY (US) 2014-01-28 US disclosed
US-8637523-B2 Compounds for the reduction of beta-amyloid production BRISTOL-MYERS SQUIBB COMPANY (US) 2014-01-28 US disclosed
EP-2593461-A1 COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION Bristol-Myers Squibb Company (US) 2013-05-22 EP disclosed
CN-102971325-A Compounds for the reduction of beta-amyloid production BRISTOL MYERS SQUIBB CO 2013-03-13 CN disclosed
US-20120184565-A1 COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION BRISTOL-MYERS SQUIBB COMPANY 2012-07-19 US disclosed
US-20120184565-A1 COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION BRISTOL-MYERS SQUIBB COMPANY 2012-07-19 US disclosed
US-20120184565-A1 COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION BRISTOL-MYERS SQUIBB COMPANY 2012-07-19 US disclosed
WO-2012009309-A1 COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION BRISTOL-MYERS SQUIBB COMPANY (US) 2012-01-19 WO disclosed
WO-2012009309-A1 COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION BRISTOL-MYERS SQUIBB COMPANY (US) 2012-01-19 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-20120184565-A1 COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION APP, BACE1, IAPP TLR2 4842/4885TLR1 4845/4885IDO1 3796/4885

“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.