SCHEMBL16896954

SCHEMBL16896954

COc1cc2c(ccc(=O)n2C(=O)c2ccc(Cl)cc2)cc1-c1c(C)noc1C

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ AKR1C3 P42330 1/20 0.42
▸ AKR1C2 P52895 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ PTGS1 P23219 1/20 0.39
▸ PTGS2 P35354 1/20 0.39
▸ BRD4 O60885 9/20 0.39
▸ BRD2 P25440 7/20 0.39
▸ BRD3 Q15059 7/20 0.39
▸ CYP3A4 P08684 3/20 0.39
▸ CYP2C9 P11712 3/20 0.39
▸ HDAC1 Q13547 3/20 0.39
▸ NR3C1 P04150 1/20 0.39
▸ FFAR2 O15552 1/20 0.38
▸ MTNR1B P49286 1/20 0.38
▸ FTO Q9C0B1 1/20 0.37
▸ TTK P33981 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
SCHEMBL20357569 0.82 ALDH1A1 (0.42) AKR1C3AKR1C2ALDH1A1MAPTKMT2A
SCHEMBL16896919 0.81 BRD4 (0.47) BRD4BRD2BRD3CYP3A4CYP2C9
SCHEMBL16896747 0.79 BRD4 (0.44) BRD4BRD2BRD3CYP3A4CYP2C9
SCHEMBL16896897 0.75 BRD4 (0.46) BRD4BRD2BRD3CYP3A4CYP2C9
SCHEMBL18359596 0.73 CYP3A4 (0.41) ALDH1A1MAPTKMT2ABRD4BRD2
SCHEMBL18317422 0.72 ALDH1A1 (0.39) ALDH1A1MAPTKMT2ABRD4BRD2
SCHEMBL18317425 0.72 ALDH1A1 (0.39) ALDH1A1MAPTKMT2ABRD4BRD2
SCHEMBL18326397 0.72 BRD4 (0.48) KMT2ABRD4BRD2BRD3CYP3A4
SCHEMBL18359595 0.71 FFAR1 (0.42) ALDH1A1BRD4BRD2BRD3CYP3A4
SCHEMBL20373746 0.71 AKR1C3 (0.43) AKR1C3AKR1C2MAPTKMT2APTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10077259-B2 Bicyclic heterocyclic derivatives as bromodomain inhibitors ORION CORPORATION (FI) 2018-09-18 — — US claimed
EP-3092227-B1 BICYCLIC HETEROCYCLIC DERIVATIVES AS BROMODOMAIN INHIBITORS ORION CORP (FI) 2018-07-11 — — EP claimed
EP-3092227-A1 BICYCLIC HETEROCYCLIC DERIVATIVES AS BROMODOMAIN INHIBITORS ORION CORPORATION (FI) 2016-11-16 — — EP claimed
WO-2015104653-A1 BICYCLIC HETEROCYCLIC DERIVATIVES AS BROMODOMAIN INHIBITORS AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2015-07-16 — — WO claimed
US-10590118-B2 Bicyclic heterocyclic derivatives as bromodomain inhibitors ORION CORPORATION (FI) 2020-03-17 — — US disclosed
EP-3092227-B1 BICYCLIC HETEROCYCLIC DERIVATIVES AS BROMODOMAIN INHIBITORS ORION CORP (FI) 2018-07-11 — — EP 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 (3 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 AKR1C3 1018/4885AKR1C2 1607/4885ALDH1A1 2949/4885
US-10590118-B2 Bicyclic heterocyclic derivatives as bromodomain inhibitors BRD1, BRD2, BRD3 AKR1C3 1018/4885AKR1C2 1607/4885ALDH1A1 2949/4885
US-10077259-B2 Bicyclic heterocyclic derivatives as bromodomain inhibitors BRD1, BRD2, BRD3 AKR1C3 1018/4885AKR1C2 1607/4885ALDH1A1 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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