SCHEMBL1990199

SCHEMBL1990199

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

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.46
NPC1 O15118 1/20 0.46
GBA1 P04062 1/20 0.46
RAB9A P51151 1/20 0.46
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
TSHR P16473 1/20 0.44
ALDH1A1 P00352 6/20 0.44
HTT P42858 1/20 0.44
MAPT P10636 4/20 0.43
STAT3 P40763 1/20 0.43
LMNA P02545 2/20 0.42
GAA P10253 1/20 0.42
NPSR1 Q6W5P4 2/20 0.41
KDM4E B2RXH2 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
RXFP1 Q9HBX9 1/20 0.39

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
SCHEMBL10197528 0.85 NPC1 (0.49) MAPK1NPC1GBA1RAB9AMEN1
SCHEMBL23589263 0.83 PTGDR2 (0.54) MAPK1NPC1GBA1RAB9AMEN1
SCHEMBL23589335 0.83 ALDH1A1 (0.53) MAPK1NPC1GBA1RAB9AMEN1
SCHEMBL10197531 0.82 NPC1 (0.46) MAPK1NPC1GBA1RAB9AMEN1
SCHEMBL29508979 0.81 MAPT (0.57) MAPK1NPC1GBA1RAB9AMEN1
SCHEMBL309636 0.81 MAPT (0.57) MAPK1NPC1GBA1RAB9AMEN1
SCHEMBL1987035 0.78 KDM4E (0.54) MAPK1NPC1RAB9AMEN1KMT2A
SCHEMBL3319505 0.77 POLB (0.48) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL2013298 0.77 ALDH1A1 (0.71) MAPK1NPC1GBA1RAB9AMEN1
SCHEMBL30986366 0.77 ALDH1A1 (0.42) MAPK1NPC1RAB9AMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110150833-A1 BENZOPYRANS AND ANALOGS AS RHO KINASE INHIBITORS THE SCRIPPS RESEARCH INSTITUTE (US) 2011-06-23 US 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-20110150833-A1 BENZOPYRANS AND ANALOGS AS RHO KINASE INHIBITORS ROCK1, RHOA, RHOT2 MAPK1 18/4885NPC1 3662/4885GBA1 2341/4885

“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.