SCHEMBL363067

SCHEMBL363067

C=CCOc1cc([N+](=O)[O-])ccc1-n1ncnc1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.39
IDO1 P14902 1/20 0.38
HTR1A P08908 1/20 0.38
ALDH1A1 P00352 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
LMNA P02545 2/20 0.35
MITF O75030 1/20 0.35
RAB9A P51151 1/20 0.35
HTT P42858 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
MAPK1 P28482 1/20 0.34
GFER P55789 1/20 0.34
APOBEC3G Q9HC16 1/20 0.34
CYP2C19 P33261 1/20 0.33
S1PR4 O95977 1/20 0.33
PTK2 Q05397 1/20 0.33
ENPP1 P22413 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
POLB P06746 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
SCHEMBL511979 0.83 HTT (0.49) ALDH1A1SMN1; SMN2LMNAHTTMEN1
SCHEMBL361403 0.81 NR4A1 (0.35) ALDH1A1SMN1; SMN2MEN1KMT2AMAPK1
SCHEMBL361528 0.78 CYP19A1 (0.53) NPC1SMN1; SMN2LMNARAB9AMEN1
SCHEMBL361807 0.77 IDO1 (0.38) NPC1IDO1HTR1AALDH1A1SMN1; SMN2
SCHEMBL27631030 0.76 ALDH1A1 (0.50) HTR1AALDH1A1LMNARAB9AHTT
SCHEMBL10153123 0.76 ALDH1A1 (0.49) NPC1ALDH1A1SMN1; SMN2LMNAHTT
SCHEMBL20265527 0.75 HSD17B10 (0.46) ALDH1A1SMN1; SMN2LMNARAB9AHTT
SCHEMBL367990 0.75 MAPT (0.47) NPC1ALDH1A1SMN1; SMN2LMNAMEN1
SCHEMBL2625711 0.75 POLB (0.43) NPC1ALDH1A1SMN1; SMN2LMNAMITF
SCHEMBL18428692 0.74 ALDH1A1 (0.48) HTR1AALDH1A1SMN1; SMN2LMNAHTT

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 11 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
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
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 NPC1 280/4885IDO1 3796/4885HTR1A 2999/4885

“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.