SCHEMBL5733178

SCHEMBL5733178

COC1(Nc2cccc(Br)c2C)CC1

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 2/20 0.33
EGFR P00533 1/20 0.33
EPHA2 P29317 1/20 0.30
KDR P35968 1/20 0.30
EPHB4 P54760 1/20 0.30
ALDH1A1 P00352 2/20 0.30
MAPT P10636 1/20 0.30
HTT P42858 1/20 0.30
RAB9A P51151 1/20 0.30

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
SCHEMBL5699142 0.75 MEN1 (0.31) HTT
SCHEMBL14861504 0.69 ALDH1A1 (0.39) ERBB2EGFRALDH1A1MAPTRAB9A
SCHEMBL14857685 0.69 ALDH1A1 (0.39) ERBB2EGFRALDH1A1MAPTRAB9A
SCHEMBL839679 0.67 CA12 (0.38) ERBB2EGFRALDH1A1MAPT
SCHEMBL12367893 0.67 ALDH1A1 (0.37) ERBB2EGFRALDH1A1MAPTHTT
Hydrochloric Acid SCHEMBL16540425 0.66 ALDH1A1 (0.36) ERBB2EGFRALDH1A1MAPT
SCHEMBL5734957 0.66 HTR3E (0.44) ALDH1A1MAPT
SCHEMBL5647058 0.66 NCF1 (0.43) ALDH1A1MAPTHTT
SCHEMBL108973 0.65
SCHEMBL21861906 0.64 MEN1 (0.42) ERBB2EGFRALDH1A1MAPTHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10385065-B2 Antibacterial compounds REDX PHARMA PLC (GB) 2019-08-20 US disclosed
US-10385065-B2 Antibacterial compounds REDX PHARMA PLC (GB) 2019-08-20 US disclosed
US-20170158708-A1 ANTIBACTERIAL COMPOUNDS REDX PHARMA PLC (GB) 2017-06-08 US disclosed
US-20170158708-A1 ANTIBACTERIAL COMPOUNDS REDX PHARMA PLC (GB) 2017-06-08 US disclosed
US-20170158708-A1 ANTIBACTERIAL COMPOUNDS REDX PHARMA PLC (GB) 2017-06-08 US disclosed
WO-2017046603-A1 ANTIBACTERIAL COMPOUNDS AND NEW USES THEREOF REDX PHARMA PLC (GB) 2017-03-23 WO disclosed
WO-2017046606-A1 ANTIBACTERIAL COMPOUNDS REDX PHARMA PLC (GB) 2017-03-23 WO disclosed
WO-2017046605-A1 ANTIBACTERIAL COMPOUNDS REDX PHARMA PLC (GB) 2017-03-23 WO disclosed
EP-3129386-A1 ANTIBACTERIAL COMPOUNDS Redx Pharma PLC (GB) 2017-02-15 EP disclosed
WO-2015155549-A1 ANTIBACTERIAL COMPOUNDS REDX PHARMA PLC (GB) 2015-10-15 WO disclosed
EP-1070713-B1 QUINOLONECARBOXYLIC ACID DERIVATIVES OR SALTS THEREOF TOYAMA CHEMICAL CO LTD (JP) 2006-10-18 EP disclosed
US-6335447-B1 BACTERICIDES TOYAMA CHEMICAL CO., LTD. (JP) 2002-01-01 US disclosed
EP-1070713-A1 QUINOLONECARBOXYLIC ACID DERIVATIVES OR SALTS THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2001-01-24 EP 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-20170158708-A1 ANTIBACTERIAL COMPOUNDS ABCC1, SLC11A2, NQO2 ERBB2 2687/4885EGFR 1616/4885EPHA2 4813/4885
US-10385065-B2 Antibacterial compounds ABCC1, SLC11A2, NQO2 ERBB2 2687/4885EGFR 1616/4885EPHA2 4813/4885

“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.