SCHEMBL18326375

SCHEMBL18326375

COc1cc2c(cc1Br)C(=O)C(C)(C)C(=O)N2Cc1ccccn1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 8/20 0.46
▸ HTR2A P28223 1/20 0.44
▸ HTR2C P28335 1/20 0.44
▸ KMT2A Q03164 3/20 0.42
▸ PKM P14618 2/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ CYP1B1 Q16678 1/20 0.41
▸ BCHE P06276 1/20 0.38
▸ ACHE P22303 1/20 0.38
▸ FGFR4 P22455 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ NPC1 O15118 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ MAPK1 P28482 1/20 0.36

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
SCHEMBL18326377 0.81 SCN9A (0.47) SCN9AHTR2AHTR2CKMT2APKM
SCHEMBL16896733 0.81 BRD4 (0.53) SCN9A
SCHEMBL18326372 0.77 SCN9A (0.47) SCN9AHTR2AHTR2CKMT2APKM
SCHEMBL16905984 0.74 BRD4 (0.54) SCN9AHTR2AHTR2CKMT2APKM
SCHEMBL20357596 0.70 BRD4 (0.46) SCN9AKMT2APKMMEN1ALDH1A1
SCHEMBL18359585 0.69 HTR2A (0.45) HTR2AHTR2CKMT2APKMMEN1
SCHEMBL16896825 0.68 HTR2A (0.44) HTR2AHTR2CKMT2APKMMEN1
SCHEMBL29732326 0.67 GABRA5 (0.45) HTR2AHTR2CKMT2AMEN1ALDH1A1
SCHEMBL18326378 0.67 GABRA5 (0.45) HTR2AHTR2CKMT2AMEN1ALDH1A1
SCHEMBL16905985 0.67 ALDH1A1 (0.48) SCN9AHTR2AHTR2CALDH1A1ACHE

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 4 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
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 (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 SCN9A 1742/4885HTR2A 2532/4885HTR2C 1545/4885
US-10590118-B2 Bicyclic heterocyclic derivatives as bromodomain inhibitors BRD1, BRD2, BRD3 SCN9A 1742/4885HTR2A 2532/4885HTR2C 1545/4885

“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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