SCHEMBL5153378

SCHEMBL5153378

COc1cccc(C(=O)c2ccc(Br)cc2C(=O)O)c1C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC25B P30305 1/20 0.48
KDM4E B2RXH2 3/20 0.46
RXFP1 Q9HBX9 1/20 0.46
SORT1 Q99523 5/20 0.46
ALDH1A1 P00352 3/20 0.46
HPGD P15428 2/20 0.46
HSD17B10 Q99714 1/20 0.46
MAPT P10636 3/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA7 P43166 1/20 0.45
CA9 Q16790 1/20 0.45
CA14 Q9ULX7 1/20 0.45
STAT3 P40763 1/20 0.44
HTT P42858 1/20 0.43
POLB P06746 2/20 0.42
LCK P06239 1/20 0.42

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
SCHEMBL5153184 0.95 CDC25B (0.48) CDC25BKDM4ERXFP1SORT1ALDH1A1
SCHEMBL4676503 0.87 CDC25B (0.55) CDC25BKDM4EALDH1A1HPGDHSD17B10
SCHEMBL4118366 0.84 KDM4E (0.46) KDM4ERXFP1ALDH1A1HPGDHSD17B10
SCHEMBL4675274 0.82 CDC25B (0.55) CDC25BKDM4EALDH1A1HPGDHSD17B10
SCHEMBL28934347 0.80 CDC25B (0.60) CDC25BKDM4EALDH1A1HPGDHSD17B10
SCHEMBL5222966 0.80 KDM4E (0.39) KDM4ERXFP1ALDH1A1MAPTNPC1
SCHEMBL29959614 0.79 HTT (0.59) KDM4EALDH1A1HPGDHSD17B10MAPT
SCHEMBL311839 0.79 HTT (0.59) KDM4EALDH1A1HPGDHSD17B10MAPT
Hydrochloric Acid SCHEMBL2375636 0.77 HTT (0.58) KDM4EALDH1A1HPGDHSD17B10MAPT
SCHEMBL28837856 0.77 HTT (0.58) KDM4EALDH1A1HPGDHSD17B10MAPT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1740558-A1 BENZOXAZOCINES AND THEIR THERAPEUTIC USE AS MONOAMINE REUPTAKE INHIBITORS Sosei R&D Ltd. (GB) 2007-01-10 EP disclosed
US-20060019940-A1 Novel benzoxazocines and their therapeutic use SOSEI R&D LTD. (GB) 2006-01-26 US disclosed
WO-2005103019-A1 BENZOXAZOCINES AND THEIR THERAPEUTIC USE AS MONOAMINE REUPTAKE INHIBITORS SOSEI R&D LTD. (GB) 2005-11-03 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-20060019940-A1 Novel benzoxazocines and their therapeutic use HTR4, OPRM1, GRM4 CDC25B 1814/4885KDM4E 461/4885RXFP1 466/4885

“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.