SCHEMBL18172290

SCHEMBL18172290

Cc1noc(C)c1-c1cnc(NCC(=O)OC(C)(C)C)c([N+](=O)[O-])c1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 15/20 0.47
CREBBP Q92793 5/20 0.45
ERN1 O75460 1/20 0.44
GLA P06280 1/20 0.37
BRD2 P25440 3/20 0.36
AAK1 Q2M2I8 1/20 0.36
GABRA5 P31644 1/20 0.35

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
SCHEMBL20061675 0.86 ERN1 (0.48) BRD4CREBBPERN1BRD2
SCHEMBL18181282 0.84 ERN1 (0.42) BRD4CREBBPERN1GLABRD2
SCHEMBL18172285 0.84 BRD4 (0.49) BRD4CREBBPBRD2AAK1GABRA5
SCHEMBL18174242 0.83 BRD4 (0.51) BRD4CREBBPERN1BRD2AAK1
SCHEMBL18172315 0.79 BRD4 (0.43) BRD4ERN1BRD2
SCHEMBL19726804 0.78 ERN1 (0.52) BRD4ERN1
SCHEMBL18172308 0.77 GLA (0.41) GLAAAK1
SCHEMBL18181083 0.72 CYP1A2 (0.58) BRD4CREBBPERN1BRD2
SCHEMBL20832906 0.72 CYP1A2 (0.46) BRD4ERN1
SCHEMBL19231421 0.72 ERN1 (0.48) BRD4CREBBPERN1BRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107750251-B Isoxazolyl-substituted imidazopyridines 塞尔森瑞科有限责任公司 2020-09-01 CN disclosed
US-10428065-B2 Isoxazolyl substituted imidazopyridines CELLCENTRIC LTD (GB) 2019-10-01 US disclosed
EP-3286188-B1 ISOXAZOLYL SUBSTITUTED IMIDAZOPYRIDINES CELLCENTRIC LTD (GB) 2019-03-20 EP disclosed
US-20180105519-A1 ISOXAZOLYL SUBSTITUTED IMIDAZOPYRIDINES CELLCENTRIC LTD (GB) 2018-04-19 US disclosed
EP-3286188-A1 ISOXAZOLYL SUBSTITUTED IMIDAZOPYRIDINES Cellcentric Ltd (GB) 2018-02-28 EP disclosed
WO-2016170323-A1 ISOXAZOLYL SUBSTITUTED IMIDAZOPYRIDINES CELLCENTRIC LTD (GB) 2016-10-27 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-20180105519-A1 ISOXAZOLYL SUBSTITUTED IMIDAZOPYRIDINES EP300, HDAC3, HDAC1 BRD4 17/4885CREBBP 16/4885ERN1 2258/4885
US-10428065-B2 Isoxazolyl substituted imidazopyridines EP300, HDAC3, HDAC1 BRD4 17/4885CREBBP 16/4885ERN1 2258/4885

“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.