SCHEMBL4194094

SCHEMBL4194094

Cc1cc(-c2nc3cnccc3c(=O)n2NCc2ccc(Cl)cc2)ccc1[N+](=O)[O-]

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.46
KMT2A Q03164 7/20 0.46
BRD4 O60885 1/20 0.42
MAPT P10636 4/20 0.42
HTT P42858 3/20 0.42
LMNA P02545 2/20 0.42
ALDH1A1 P00352 2/20 0.39
POLB P06746 2/20 0.39
IDO1 P14902 1/20 0.39
NPSR1 Q6W5P4 3/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
TRPA1 O75762 1/20 0.36
KDM4E B2RXH2 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL4397979 0.85 BRD4 (0.44) MEN1KMT2ABRD4MAPTHTT
SCHEMBL4189636 0.85 BRD4 (0.44) MEN1KMT2ABRD4MAPTHTT
SCHEMBL4197705 0.80 IDO1 (0.44) MEN1KMT2ABRD4MAPTHTT
SCHEMBL4203061 0.79 MEN1 (0.49) MEN1KMT2ABRD4MAPTHTT
SCHEMBL4196329 0.78 NPSR1 (0.47) MEN1KMT2ABRD4MAPTHTT
SCHEMBL4241303 0.74 ALDH1A1 (0.55) MEN1KMT2AMAPTHTTLMNA
SCHEMBL4193513 0.73 SMN1; SMN2 (0.50) MEN1KMT2ABRD4MAPTHTT
SCHEMBL4238083 0.73 ALDH1A1 (0.56) MEN1KMT2AMAPTHTTLMNA
SCHEMBL4242390 0.71 ALDH1A1 (0.62) MEN1KMT2AMAPTHTTLMNA
SCHEMBL4201370 0.71 SMN1; SMN2 (0.50) MEN1KMT2AMAPTHTTLMNA

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-20090105124-A1 HETEROCYCLIC MODULATORS OF TGR5 KALYPSYS, INC. (US) 2009-04-23 US disclosed
US-20090105124-A1 HETEROCYCLIC MODULATORS OF TGR5 KALYPSYS, INC. (US) 2009-04-23 US disclosed
US-20090105124-A1 HETEROCYCLIC MODULATORS OF TGR5 KALYPSYS, INC. (US) 2009-04-23 US disclosed
WO-2009026241-A1 HETEROCYCLIC MODULATORS OF TGR5 KALYPSYS, INC. (US) 2009-02-26 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-20090105124-A1 HETEROCYCLIC MODULATORS OF TGR5 GPBAR1, GPR119, GRK5 MEN1 4670/4885KMT2A 4409/4885BRD4 2047/4885

“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.