SCHEMBL10197528

SCHEMBL10197528

CC(=O)COc1cc(Br)ccc1[N+](=O)[O-]

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
GBA1 P04062 1/20 0.49
MAPK1 P28482 1/20 0.49
ALDH1A1 P00352 6/20 0.48
MAPT P10636 3/20 0.48
HTT P42858 2/20 0.47
GAA P10253 1/20 0.45
PTGDR2 Q9Y5Y4 2/20 0.44
KMT2A Q03164 4/20 0.43
MEN1 O00255 2/20 0.43
KDM4E B2RXH2 1/20 0.43
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL10197531 0.88 NPC1 (0.46) NPC1RAB9AGBA1MAPK1ALDH1A1
SCHEMBL3800698 0.88 NPC1 (0.49) NPC1RAB9AGBA1MAPK1ALDH1A1
SCHEMBL23589263 0.87 PTGDR2 (0.54) NPC1RAB9AGBA1MAPK1ALDH1A1
SCHEMBL1990199 0.85 MAPK1 (0.46) NPC1RAB9AGBA1MAPK1ALDH1A1
SCHEMBL23589335 0.83 ALDH1A1 (0.53) NPC1RAB9AGBA1MAPK1ALDH1A1
SCHEMBL31693741 0.82 KDM4E (0.50) NPC1RAB9AMAPK1ALDH1A1MAPT
SCHEMBL309636 0.81 MAPT (0.57) NPC1RAB9AGBA1MAPK1ALDH1A1
SCHEMBL29508979 0.81 MAPT (0.57) NPC1RAB9AGBA1MAPK1ALDH1A1
SCHEMBL2013298 0.81 ALDH1A1 (0.71) NPC1RAB9AGBA1MAPK1ALDH1A1
SCHEMBL25294499 0.80 CFD (0.43) NPC1RAB9AGBA1MAPK1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260102404-A1 THYROID STIMULATING HORMONE RECEPTOR (TSHR) ANTAGONISTS AND USES THEREOF Crinetics Pharmaceuticals, Inc. (US) 2026-04-16 US disclosed
US-20120022057-A1 BICYCLIC COMPOUNDS AS INHIBITORS OF DIACYGLYCEROL ACYLTRANSFERASE SCHERING CORPORATION (US) 2012-01-26 US disclosed
US-20120022057-A1 BICYCLIC COMPOUNDS AS INHIBITORS OF DIACYGLYCEROL ACYLTRANSFERASE SCHERING CORPORATION (US) 2012-01-26 US disclosed
WO-2010107768-A1 BICYCLIC COMPOUNDS AS INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE SCHERING CORPORATION (US) 2010-09-23 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-20120022057-A1 BICYCLIC COMPOUNDS AS INHIBITORS OF DIACYGLYCEROL ACYLTRANSFERASE DGAT2, DGAT1, LCAT NPC1 271/4885RAB9A 2944/4885GBA1 196/4885
US-20260102404-A1 THYROID STIMULATING HORMONE RECEPTOR (TSHR) ANTAGONISTS AND USES THEREOF TSHR, TRHR, THRB NPC1 2377/4885RAB9A 1103/4885GBA1 2027/4885

“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.