SCHEMBL20128510

SCHEMBL20128510

CC(=O)CNc1ccc(-c2c(C)noc2C)cc1[N+](=O)[O-]

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 1/20 0.49
BRD4 O60885 5/20 0.46
GAA P10253 1/20 0.45
BRD2 P25440 1/20 0.44
CREBBP Q92793 1/20 0.44
TP53 P04637 4/20 0.43
POLB P06746 4/20 0.43
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
HIF1A Q16665 1/20 0.42
HSD17B10 Q99714 1/20 0.42
CLK4 Q9HAZ1 1/20 0.42
MAPT P10636 1/20 0.42

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
SCHEMBL18174254 0.91 ERN1 (0.49) ERN1BRD4GAABRD2CREBBP
SCHEMBL18174242 0.86 BRD4 (0.51) ERN1BRD4GAABRD2CREBBP
SCHEMBL20094321 0.83 MAPT (0.52) ERN1BRD4GAABRD2CREBBP
SCHEMBL29741428 0.83 MAPT (0.52) ERN1BRD4GAABRD2CREBBP
SCHEMBL18181936 0.83 LMNA (0.49) ERN1BRD4GAATP53POLB
SCHEMBL20094295 0.83 ERN1 (0.47) ERN1BRD4GAABRD2TP53
SCHEMBL29741304 0.83 ERN1 (0.47) ERN1BRD4GAABRD2TP53
SCHEMBL31410098 0.82 ERN1 (0.47) ERN1BRD4GAABRD2TP53
SCHEMBL18174218 0.82 ERN1 (0.41) ERN1BRD4GAABRD2TP53
SCHEMBL20061675 0.81 ERN1 (0.48) ERN1BRD4BRD2CREBBPALDH1A1

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-20180127402-A1 ISOXAZOLYL SUBSTITUTED BENZIMIDAZOLES CELLCENTRIC LTD (GB) 2018-05-10 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-20180127402-A1 ISOXAZOLYL SUBSTITUTED BENZIMIDAZOLES EP300, HDAC3, HDAC1 ERN1 1781/4885BRD4 18/4885GAA 4754/4885

“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.