SCHEMBL18359490

SCHEMBL18359490

COc1cc2c(cc1Br)cc(C(O)(c1ccccc1)c1ccccc1)c(=O)n2Cc1ccccn1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ACSS2 Q9NR19 4/20 0.41
▸ GABRA5 P31644 4/20 0.39
▸ GABRA1 P14867 3/20 0.39
▸ HTR2A P28223 1/20 0.38
▸ HTR2C P28335 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ PDE1A P54750 1/20 0.36
▸ PDE1B Q01064 1/20 0.36
▸ PDE1C Q14123 1/20 0.36
▸ FEN1 P39748 1/20 0.36
▸ PLA2G2A P14555 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.35
▸ GLA P06280 1/20 0.35
▸ GRIN1 Q05586 1/20 0.35
▸ GRIN2B Q13224 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
SCHEMBL18359585 0.85 HTR2A (0.45) GABRA5GABRA1HTR2AHTR2CALDH1A1
SCHEMBL18359624 0.83 BRD4 (0.53) ACSS2GABRA5GABRA1
SCHEMBL18326378 0.83 GABRA5 (0.45) GABRA5GABRA1HTR2AHTR2CALDH1A1
SCHEMBL29732326 0.83 GABRA5 (0.45) GABRA5GABRA1HTR2AHTR2CALDH1A1
SCHEMBL18359489 0.83 KDM4E (0.43) GABRA5GABRA1HTR2AHTR2CALDH1A1
SCHEMBL18359488 0.80 PDE1A (0.45) GABRA5GABRA1HTR2AHTR2CALDH1A1
SCHEMBL16896890 0.80 HTR2A (0.43) GABRA5GABRA1HTR2AHTR2CALDH1A1
SCHEMBL16896825 0.78 HTR2A (0.44) GABRA5GABRA1HTR2AHTR2CALDH1A1
SCHEMBL18326380 0.76 PDE4D (0.42) GABRA5GABRA1HTR2AHTR2CALDH1A1
SCHEMBL18326382 0.72 HTR2A (0.43) GABRA5GABRA1HTR2AHTR2CALDH1A1

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 ACSS2 1822/4885GABRA5 3417/4885GABRA1 2113/4885

“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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