SCHEMBL18359596

SCHEMBL18359596

COc1cc2c(cc1-c1c(C)noc1C)cc(C(=O)N1CCC1)c(=O)n2CC(=O)c1ccc(Cl)cc1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 2/20 0.41
▸ CYP2C9 P11712 2/20 0.41
▸ BRD4 O60885 2/20 0.39
▸ BRD2 P25440 2/20 0.39
▸ BRD3 Q15059 2/20 0.39
▸ SCN9A Q15858 1/20 0.39
▸ LMNA P02545 2/20 0.38
▸ ROCK2 O75116 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ LPAR5 Q9H1C0 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ EZH2 Q15910 5/20 0.35
▸ MGLL Q99685 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ TTK P33981 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
SCHEMBL20547087 0.90 CYP3A4 (0.42) CYP3A4CYP2C9BRD4BRD2BRD3
SCHEMBL20547070 0.87 CYP3A4 (0.41) CYP3A4CYP2C9BRD4BRD2BRD3
SCHEMBL18359597 0.87 CYP3A4 (0.40) CYP3A4CYP2C9BRD4BRD2BRD3
SCHEMBL18359666 0.84 CYP3A4 (0.48) CYP3A4CYP2C9BRD4BRD2BRD3
SCHEMBL18359598 0.83 CYP3A4 (0.41) CYP3A4CYP2C9BRD4BRD2BRD3
SCHEMBL18359639 0.80 CYP3A4 (0.44) CYP3A4CYP2C9BRD4BRD2BRD3
SCHEMBL18359571 0.79 CYP3A4 (0.43) CYP3A4CYP2C9BRD4BRD2BRD3
SCHEMBL18359594 0.74 OPRM1 (0.38) CYP3A4CYP2C9BRD4BRD2BRD3
SCHEMBL18359549 0.74 BRD4 (0.49) CYP3A4CYP2C9BRD4BRD2BRD3
SCHEMBL16896954 0.73 AKR1C3 (0.42) 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-20180312496-A1 BICYCLIC HETEROCYCLE DERIVATIVES AS BROMODOMAIN INHIBITORS ORION CORP (FI) 2018-11-01 — — US claimed
WO-2017001733-A1 BICYCLIC HETEROCYCLE DERIVATIVES AS BROMODOMAIN INHIBITORS ORION CORPORATION (FI) 2017-01-05 — — 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 (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-20180312496-A1 BICYCLIC HETEROCYCLE DERIVATIVES AS BROMODOMAIN INHIBITORS BRD1, BRD4, BRD2 CYP3A4 2191/4885CYP2C9 2110/4885BRD4 2/4885

“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.

Send feedback