SCHEMBL962472

SCHEMBL962472

COc1cc([N+](=O)[O-])ccc1NC=O

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.62
PKM P14618 1/20 0.62
ALDH1A1 P00352 6/20 0.58
GLA P06280 1/20 0.58
LMNA P02545 4/20 0.56
KMT2A Q03164 4/20 0.56
SMN1; SMN2 Q16637 3/20 0.55
MAPT P10636 2/20 0.55
MEN1 O00255 1/20 0.55
NPC1 O15118 1/20 0.55
CASP3 P42574 1/20 0.55
RAB9A P51151 1/20 0.55
SENP8 Q96LD8 1/20 0.55
SENP7 Q9BQF6 1/20 0.55
SENP6 Q9GZR1 1/20 0.55
GAA P10253 2/20 0.54
EPHX1 P07099 1/20 0.54
KCNMA1 Q12791 1/20 0.52
TDP1 Q9NUW8 1/20 0.51

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
SCHEMBL5226315 0.88 SMN1; SMN2 (0.64) HTTPKMALDH1A1LMNAKMT2A
SCHEMBL30384717 0.88 SMN1; SMN2 (0.64) HTTPKMALDH1A1LMNAKMT2A
SCHEMBL11683270 0.85 HTT (0.59) HTTPKMALDH1A1GLALMNA
SCHEMBL9509694 0.82 HTT (0.68) HTTPKMALDH1A1GLALMNA
SCHEMBL8536244 0.81 HTT (0.66) HTTPKMALDH1A1GLALMNA
SCHEMBL16914154 0.81 AKR1C3 (0.54) HTTPKMALDH1A1GLALMNA
SCHEMBL18840091 0.80 HTT (0.61) HTTPKMALDH1A1GLALMNA
Bromide SCHEMBL20984908 0.79 HTT (0.64) HTTPKMALDH1A1GLALMNA
Hydrochloric Acid SCHEMBL20984252 0.79 HTT (0.64) HTTPKMALDH1A1GLALMNA
SCHEMBL7122116 0.79 ALDH1A1 (0.56) HTTALDH1A1LMNAKMT2ASMN1; SMN2

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 HTT 105/4885PKM 2235/4885ALDH1A1 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.