SCHEMBL18326391

SCHEMBL18326391

COc1cc2c(cc1-c1c(C)noc1C)OCCN2Cc1ccccc1NC(=O)OC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 7/20 0.42
▸ CYP2C9 P11712 7/20 0.42
▸ ALDH1A1 P00352 2/20 0.39
▸ HTT P42858 1/20 0.39
▸ BRD4 O60885 8/20 0.37
▸ BRD2 P25440 7/20 0.37
▸ BRD3 Q15059 7/20 0.37
▸ ACACB O00763 1/20 0.35
▸ MAPT P10636 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ EZH2 Q15910 1/20 0.35
▸ LMNA P02545 1/20 0.34
▸ LCK P06239 1/20 0.34
▸ MET P08581 1/20 0.34
▸ KDR P35968 1/20 0.34
▸ TEK Q02763 1/20 0.34

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
SCHEMBL16896791 0.91 CYP3A4 (0.44) CYP3A4CYP2C9ALDH1A1HTTBRD4
SCHEMBL16896910 0.81 BRD4 (0.40) CYP3A4CYP2C9BRD4BRD2BRD3
SCHEMBL18326385 0.74 EZH2 (0.43) CYP3A4CYP2C9BRD4BRD2BRD3
SCHEMBL16905852 0.71 CYP3A4 (0.43) CYP3A4CYP2C9HTTBRD4BRD2
SCHEMBL16896826 0.71 MEN1 (0.43) CYP3A4CYP2C9BRD4BRD2BRD3
SCHEMBL18326390 0.70 THRB (0.36) ALDH1A1HTTMAPTKDM4ELMNA
SCHEMBL18326404 0.69 BRD4 (0.44) CYP3A4CYP2C9ALDH1A1BRD4BRD2
SCHEMBL18326405 0.68 CYP3A4 (0.40) CYP3A4CYP2C9HTTBRD4BRD2
SCHEMBL18326406 0.67 BRD4 (0.40) CYP3A4CYP2C9BRD4BRD2BRD3
SCHEMBL16896894 0.66 GPR119 (0.42) BRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10590118-B2 Bicyclic heterocyclic derivatives as bromodomain inhibitors ORION CORPORATION (FI) 2020-03-17 — — US disclosed
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 (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-20160368906-A1 BICYCLIC HETEROCYCLIC DERIVATIVES AS BROMODOMAIN INHIBITORS BRD1, BRD2, BRD3 CYP3A4 1942/4885CYP2C9 1528/4885ALDH1A1 2949/4885
US-10590118-B2 Bicyclic heterocyclic derivatives as bromodomain inhibitors BRD1, BRD2, BRD3 CYP3A4 1942/4885CYP2C9 1528/4885ALDH1A1 2949/4885

“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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