SCHEMBL16396254

SCHEMBL16396254

COc1ccc(COc2cc(C(=O)O)cc([N+](=O)[O-])c2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.60
SMN1; SMN2 Q16637 2/20 0.60
NPC1 O15118 1/20 0.60
POLB P06746 1/20 0.60
PLA2G4B P0C869 2/20 0.56
MAOB P27338 4/20 0.54
MAOA P21397 2/20 0.53
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
TP53 P04637 1/20 0.52
PKM P14618 1/20 0.52
NFKB1 P19838 1/20 0.52
NFKB2 Q00653 1/20 0.52
RELA Q04206 1/20 0.52
MRGPRX4 Q96LA9 1/20 0.52
RXFP1 Q9HBX9 1/20 0.52
ALOX5 P09917 1/20 0.50
PPARA Q07869 1/20 0.49
SLC2A1 P11166 1/20 0.48
GAA P10253 1/20 0.48

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
SCHEMBL16396184 0.89 HTT (0.51) RAB9ASMN1; SMN2NPC1POLBPLA2G4B
SCHEMBL16396350 0.89 MAOB (0.53) RAB9ASMN1; SMN2NPC1POLBPLA2G4B
SCHEMBL16396138 0.88 HTT (0.59) RAB9ASMN1; SMN2NPC1POLBMAOB
SCHEMBL11265699 0.87 MEN1 (0.70) RAB9APLA2G4BMAOBMAOAMEN1
SCHEMBL1099548 0.82 MEN1 (0.55) RAB9ASMN1; SMN2NPC1MEN1KMT2A
SCHEMBL16396263 0.80 VNN1 (0.56) RAB9ASMN1; SMN2MAOBMAOAMEN1
SCHEMBL7110502 0.80 MAOB (0.65) RAB9ASMN1; SMN2MAOBMAOAMEN1
SCHEMBL20955228 0.79 RAB9A (0.67) RAB9ASMN1; SMN2NPC1POLBPLA2G4B
SCHEMBL21069359 0.79 MAOB (0.58) MAOBMAOAMEN1KMT2A
SCHEMBL31664129 0.79 MAOB (0.58) MAOBMAOAMEN1KMT2A

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
US-10562912-B2 Heterocyclic derivatives and use thereof C&C RESEARCH LABORATORIES (KR) 2020-02-18 US disclosed
EP-3004057-B1 HETEROCYCLIC DERIVATIVES AND THEIR USE AS STAT 3 INHIBITORS C&C RES LAB (KR) 2018-07-25 EP disclosed
US-20160108056-A1 HETEROCYCLIC DERIVATIVES AND USE THEREOF C&C RESEARCH LABORATORIES (KR) 2016-04-21 US disclosed
EP-3004057-A1 HETEROCYCLIC DERIVATIVES AND USE THEREOF C&C Research Laboratories (KR) 2016-04-13 EP disclosed
WO-2014196793-A1 HETEROCYCLIC DERIVATIVES AND USE THEREOF C&C RESEARCH LABORATORIES (KR) 2014-12-11 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 (2 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-20160108056-A1 HETEROCYCLIC DERIVATIVES AND USE THEREOF STAT3, JAK2, STAT5A RAB9A 2016/4885SMN1; SMN2 3612/4885NPC1 2269/4885
US-10562912-B2 Heterocyclic derivatives and use thereof STAT3, JAK2, STAT5A RAB9A 2016/4885SMN1; SMN2 3612/4885NPC1 2269/4885

“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.