SCHEMBL18326405

SCHEMBL18326405

COc1cc([N+](=O)[O-])c(NC(=O)OC(C)(C)C)cc1-c1c(C)noc1C

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 3/20 0.40
▸ CYP2C9 P11712 3/20 0.40
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ PKM P14618 2/20 0.39
▸ BRD4 O60885 7/20 0.39
▸ BRD2 P25440 5/20 0.39
▸ BRD3 Q15059 5/20 0.39
▸ HTT P42858 2/20 0.38
▸ TSHR P16473 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ ERN1 O75460 1/20 0.38
▸ NR3C1 P04150 1/20 0.38
▸ MAPT P10636 1/20 0.37
▸ CRHBP P24387 1/20 0.37
▸ CRHR2 Q13324 1/20 0.37
▸ MET P08581 1/20 0.36
▸ AXL P30530 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
SCHEMBL16905852 0.84 CYP3A4 (0.43) CYP3A4CYP2C9BRD4BRD2BRD3
SCHEMBL16543574 0.79 HTT (0.47) CYP3A4MEN1KMT2APKMHTT
SCHEMBL16896875 0.78 LMNA (0.48) CYP3A4CYP2C9MEN1KMT2APKM
SCHEMBL18949744 0.76 NR3C1 (0.47) BRD4BRD2BRD3ERN1NR3C1
SCHEMBL16896857 0.75 NR3C1 (0.45) CYP3A4CYP2C9MEN1KMT2APKM
SCHEMBL16896861 0.75 BRD4 (0.42) CYP3A4CYP2C9MEN1KMT2APKM
SCHEMBL18326404 0.74 BRD4 (0.44) CYP3A4CYP2C9MEN1KMT2APKM
SCHEMBL18359657 0.73 KDM4E (0.57) CYP3A4BRD4BRD2BRD3ERN1
SCHEMBL25381719 0.73 PKM (0.43) MEN1KMT2APKMHTTMAPT
SCHEMBL19422771 0.73 BRD4 (0.45) CYP3A4CYP2C9BRD4BRD2BRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160368906-A1 BICYCLIC HETEROCYCLIC DERIVATIVES AS BROMODOMAIN INHIBITORS ORION CORPORATION (FI) 2016-12-22 — — US disclosed
US-20160368906-A1 BICYCLIC HETEROCYCLIC DERIVATIVES AS BROMODOMAIN INHIBITORS ORION CORPORATION (FI) 2016-12-22 — — 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-20160368906-A1 BICYCLIC HETEROCYCLIC DERIVATIVES AS BROMODOMAIN INHIBITORS BRD1, BRD2, BRD3 CYP3A4 1942/4885CYP2C9 1528/4885MEN1 2757/4885

“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.

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