SCHEMBL18317425

SCHEMBL18317425

COc1cc2c(cc1-c1c(C)noc1C)C=CCN2C(=O)c1ccc(Cl)cc1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ BRD4 O60885 5/20 0.38
▸ BRD2 P25440 4/20 0.38
▸ BRD3 Q15059 4/20 0.38
▸ FFAR2 O15552 2/20 0.37
▸ HDAC1 Q13547 3/20 0.36
▸ EZH2 Q15910 2/20 0.36
▸ ROCK2 O75116 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ TTK P33981 1/20 0.36
▸ NR3C1 P04150 1/20 0.36
▸ CYP3A4 P08684 3/20 0.35
▸ CYP2C9 P11712 3/20 0.35
▸ AR P10275 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
SCHEMBL18317135 0.80 BRD4 (0.42) BRD4BRD2BRD3EZH2NR3C1
SCHEMBL18317486 0.80 BRD4 (0.41) ALDH1A1MAPTKMT2ABRD4BRD2
SCHEMBL18317422 0.78 ALDH1A1 (0.39) ALDH1A1MAPTKMT2ABRD4BRD2
SCHEMBL16896954 0.72 AKR1C3 (0.42) ALDH1A1MAPTKMT2ABRD4BRD2
SCHEMBL18317121 0.71 BRD4 (0.44) BRD4BRD2BRD3CYP3A4CYP2C9
SCHEMBL18317269 0.69 BRD4 (0.44) ALDH1A1BRD4BRD2BRD3CYP3A4
SCHEMBL18378608 0.69 BRD4 (0.53) BRD4BRD2BRD3CYP3A4CYP2C9
SCHEMBL18317117 0.69 BRD4 (0.43) ALDH1A1BRD4BRD2BRD3EZH2
SCHEMBL18317734 0.69 BRD4 (0.52) BRD4BRD2BRD3CYP3A4CYP2C9
SCHEMBL18317126 0.69 BRD4 (0.41) BRD4BRD2BRD3CYP3A4CYP2C9

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 1 patent. 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 claimed

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 ALDH1A1 2949/4885MAPT 2737/4885KMT2A 1208/4885

“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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