SCHEMBL360627

SCHEMBL360627

CNCCCOc1cc([N+](=O)[O-])ccc1-n1cnc(C)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.41
CYP19A1 P11511 6/20 0.40
MAPT P10636 6/20 0.40
ALDH1A1 P00352 4/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
MAPK1 P28482 2/20 0.40
HTT P42858 2/20 0.40
GAA P10253 1/20 0.40
TSHR P16473 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
S1PR4 O95977 1/20 0.39
POLB P06746 2/20 0.37
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
LMNA P02545 2/20 0.36
NPC1 O15118 2/20 0.36
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35

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
SCHEMBL361843 0.87 MAPT (0.41) RAB9ACYP19A1MAPTALDH1A1SMN1; SMN2
SCHEMBL362113 0.86 MAPT (0.41) RAB9ACYP19A1MAPTALDH1A1SMN1; SMN2
SCHEMBL10324218 0.85 RAB9A (0.45) RAB9ACYP19A1MAPTALDH1A1SMN1; SMN2
SCHEMBL370158 0.85 MAPT (0.42) RAB9ACYP19A1MAPTALDH1A1SMN1; SMN2
SCHEMBL368182 0.83 BRD4 (0.48) RAB9AMAPTALDH1A1TSHRTDP1
SCHEMBL360938 0.83 MAPT (0.39) RAB9ACYP19A1MAPTALDH1A1SMN1; SMN2
SCHEMBL513295 0.81 LMNA (0.50) RAB9AMAPTALDH1A1SMN1; SMN2MAPK1
SCHEMBL10324897 0.81 RAB9A (0.37) RAB9AMAPTALDH1A1SMN1; SMN2MAPK1
SCHEMBL362145 0.81 BRD4 (0.49) RAB9ACYP19A1MAPTALDH1A1POLB
SCHEMBL20085601 0.80 LMNA (0.40) RAB9AMAPTALDH1A1SMN1; SMN2MAPK1

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 9 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
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
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 RAB9A 1822/4885CYP19A1 2385/4885MAPT 14/4885

“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.