SCHEMBL18359577

SCHEMBL18359577

COc1cc2c(cc1Br)cc(C=O)c(=O)n2Cc1ncccc1OC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRIN1 Q05586 1/20 0.38
▸ GRIN2B Q13224 1/20 0.38
▸ NPC1 O15118 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ HTR2A P28223 2/20 0.34
▸ HTR2C P28335 2/20 0.34
▸ FGFR1 P11362 1/20 0.34
▸ EGLN1 Q9GZT9 1/20 0.34
▸ ERN1 O75460 2/20 0.33
▸ PDE10A Q9Y233 1/20 0.33
▸ CGAS Q8N884 1/20 0.33
▸ TNKS O95271 1/20 0.33
▸ PARP1 P09874 1/20 0.33
▸ TNKS2 Q9H2K2 1/20 0.33
▸ PRKDC P78527 1/20 0.33
▸ HCRTR1 O43613 1/20 0.33
▸ HCRTR2 O43614 1/20 0.33
▸ ALDH1A1 P00352 2/20 0.32
▸ SMN1; SMN2 Q16637 2/20 0.32
▸ LMNA P02545 2/20 0.32

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
SCHEMBL16896890 0.86 HTR2A (0.43) GRIN1GRIN2BRAB9AHTR2AHTR2C
SCHEMBL20547343 0.82 BRD4 (0.43) ERN1
SCHEMBL18359638 0.78 MEN1 (0.41) ALDH1A1SMN1; SMN2LMNAHPGD
SCHEMBL18359603 0.76 BRD4 (0.44) —
SCHEMBL20373464 0.74 GABRA5 (0.43) GRIN1GRIN2BRAB9AALDH1A1MAPT
SCHEMBL18359585 0.74 HTR2A (0.45) GRIN1GRIN2BRAB9AHTR2AHTR2C
SCHEMBL29732326 0.72 GABRA5 (0.45) GRIN1GRIN2BRAB9AHTR2AHTR2C
SCHEMBL18326378 0.72 GABRA5 (0.45) GRIN1GRIN2BRAB9AHTR2AHTR2C
SCHEMBL16896795 0.72 HTR2A (0.41) NPC1HTR2AERN1PRKDCALDH1A1
SCHEMBL18326370 0.69 PDE5A (0.41) HTR2AHTR2CALDH1A1SMN1; SMN2MAPT

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 GRIN1 2180/4885GRIN2B 3521/4885NPC1 3020/4885

“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