SCHEMBL20061675

SCHEMBL20061675

CC(=O)CNc1ncc(-c2c(C)noc2C)cc1[N+](=O)[O-]

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 1/20 0.48
BRD4 O60885 17/20 0.41
LMNA P02545 2/20 0.40
ALDH1A1 P00352 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
HIF1A Q16665 1/20 0.40
HSD17B10 Q99714 1/20 0.40
CLK4 Q9HAZ1 1/20 0.40
BRD2 P25440 4/20 0.39
CREBBP Q92793 4/20 0.39
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL18172290 0.86 BRD4 (0.47) ERN1BRD4BRD2CREBBP
SCHEMBL18172315 0.83 BRD4 (0.43) ERN1BRD4LMNAALDH1A1CYP1A2
SCHEMBL18181282 0.83 ERN1 (0.42) ERN1BRD4LMNAALDH1A1CYP1A2
SCHEMBL19726804 0.83 ERN1 (0.52) ERN1BRD4LMNAALDH1A1CYP1A2
SCHEMBL20061676 0.82 ATAD2 (0.44) BRD4LMNAALDH1A1CYP1A2CYP3A4
SCHEMBL20128510 0.81 ERN1 (0.49) ERN1BRD4LMNAALDH1A1CYP1A2
SCHEMBL18181083 0.77 CYP1A2 (0.58) ERN1BRD4LMNAALDH1A1CYP1A2
SCHEMBL20832906 0.76 CYP1A2 (0.46) ERN1BRD4LMNAALDH1A1CYP1A2
SCHEMBL18172293 0.76 CYP1A2 (0.45) ERN1BRD4LMNAALDH1A1CYP1A2
SCHEMBL20577934 0.75 ERN1 (0.54) ERN1BRD4BRD2CREBBP

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-20180105519-A1 ISOXAZOLYL SUBSTITUTED IMIDAZOPYRIDINES CELLCENTRIC LTD (GB) 2018-04-19 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-20180105519-A1 ISOXAZOLYL SUBSTITUTED IMIDAZOPYRIDINES EP300, HDAC3, HDAC1 ERN1 2258/4885BRD4 17/4885LMNA 1239/4885

“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.