SCHEMBL18359533

SCHEMBL18359533

COc1cc2c(cc1-c1c(C)noc1C)cc(CC(=O)O)c(=O)n2Cc1ccccn1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 18/20 0.55
▸ BRD2 P25440 5/20 0.55
▸ CYP3A4 P08684 4/20 0.55
▸ CYP2C9 P11712 4/20 0.55
▸ BRD3 Q15059 4/20 0.55
▸ CACNA1A O00555 1/20 0.40
▸ CHRNA1 P02708 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ CCL2 P13500 1/20 0.40
▸ KCNA5 P22460 1/20 0.40
▸ TACR1 P25103 1/20 0.40
▸ MAOB P27338 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ AVPR1A P37288 1/20 0.40
▸ PDE4B Q07343 1/20 0.40
▸ KCNH2 Q12809 1/20 0.40
▸ SCN5A Q14524 1/20 0.40
▸ BRDT Q58F21 1/20 0.40
▸ CREBBP Q92793 1/20 0.40
▸ KCNH3 Q9ULD8 1/20 0.40

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
SCHEMBL18359568 0.94 BRD4 (0.56) BRD4BRD2CYP3A4CYP2C9BRD3
SCHEMBL18359664 0.93 BRD4 (0.54) BRD4BRD2CYP3A4CYP2C9BRD3
SCHEMBL16896774 0.91 BRD4 (0.57) BRD4BRD2CYP3A4CYP2C9BRD3
SCHEMBL18359538 0.90 BRD4 (0.52) BRD4BRD2CYP3A4CYP2C9BRD3
SCHEMBL16896785 0.89 BRD4 (0.57) BRD4BRD2CYP3A4CYP2C9BRD3
SCHEMBL20547340 0.89 BRD4 (0.61) BRD4BRD2CYP3A4CYP2C9BRD3
SCHEMBL18359548 0.89 BRD4 (0.55) BRD4BRD2CYP3A4CYP2C9BRD3
Odm-207 SCHEMBL29732197 0.88 BRD4 (0.60) BRD4BRD2CYP3A4CYP2C9BRD3
Odm-207 SCHEMBL16896828 0.88 BRD4 (0.60) BRD4BRD2CYP3A4CYP2C9BRD3
SCHEMBL20547091 0.88 BRD4 (0.57) BRD4BRD2CYP3A4CYP2C9BRD3

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 disclosed
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 BRD4 2/4885BRD2 3/4885CYP3A4 2191/4885

“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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