SCHEMBL8536407

SCHEMBL8536407

Brc1nc(Br)n(COCc2ccccc2)c1Br

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
TSHR P16473 3/20 0.44
MAPK1 P28482 2/20 0.37
USP2 O75604 1/20 0.37
VCP P55072 1/20 0.36
L3MBTL1 Q9Y468 3/20 0.35
ADORA2A P29274 3/20 0.35
KDM4E B2RXH2 2/20 0.35
ADORA1 P30542 2/20 0.35
LMNA P02545 3/20 0.34
NPC1 O15118 1/20 0.34
TP53 P04637 1/20 0.34
POLB P06746 1/20 0.34
MAPT P10636 1/20 0.34
HTT P42858 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
IDO1 P14902 1/20 0.33
RECQL P46063 1/20 0.33

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
SCHEMBL8536161 0.83 ALDH1A1 (0.43) ALDH1A1TSHRMAPK1USP2VCP
SCHEMBL8532701 0.82 ALDH1A1 (0.42) ALDH1A1TSHRMAPK1VCPL3MBTL1
SCHEMBL6928223 0.82 ALDH1A1 (0.45) ALDH1A1TSHRMAPK1USP2VCP
SCHEMBL8537401 0.81 ALDH1A1 (0.44) ALDH1A1TSHRMAPK1USP2L3MBTL1
SCHEMBL9051616 0.80 ALDH1A1 (0.40) ALDH1A1TSHRMAPK1USP2VCP
SCHEMBL9593156 0.78 PDE4A (0.43) ALDH1A1POLB
SCHEMBL4838632 0.78 ADORA2A (0.49) ALDH1A1TSHRADORA2AKDM4EADORA1
SCHEMBL8562834 0.72 ALDH1A1 (0.44) ALDH1A1TSHRMAPK1USP2VCP
SCHEMBL4576525 0.69 ALDH1A1 (0.47) ALDH1A1TSHRMAPK1USP2L3MBTL1
SCHEMBL12650380 0.69 ALDH1A1 (0.50) ALDH1A1TSHRMAPK1USP2L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2933248-B1 NOVEL RENIN INHIBITOR MITSUBISHI TANABE PHARMA CORP (JP) 2018-01-31 EP disclosed
US-9556159-B2 Renin inhibitor MITSUBISHI TANABE PHARMA CORPORATION (JP) 2017-01-31 US disclosed
US-9556159-B2 Renin inhibitor MITSUBISHI TANABE PHARMA CORPORATION (JP) 2017-01-31 US disclosed
US-9556159-B2 Renin inhibitor MITSUBISHI TANABE PHARMA CORPORATION (JP) 2017-01-31 US disclosed
EP-2933248-A1 NOVEL RENIN INHIBITOR Mitsubishi Tanabe Pharma Corporation (JP) 2015-10-21 EP disclosed
US-20150232459-A1 NOVEL RENIN INHIBITOR SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. (CN) 2015-08-20 US disclosed
US-20150232459-A1 NOVEL RENIN INHIBITOR SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. (CN) 2015-08-20 US disclosed
US-20150232459-A1 NOVEL RENIN INHIBITOR SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. (CN) 2015-08-20 US disclosed
US-5719140-A ANALGESICS, PROSTAGLANDIN-E2 ANTAGONISTS G.D. SEARLE & CO. (US) 1998-02-17 US disclosed
EP-0696283-B1 2-, 3-, 4-, 5-, 6-, 7-, 8-, 9- AND/OR 10-SUBSTITUTED DIBENZOXAZEPINE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE SEARLE & CO (US) 1997-09-17 EP disclosed
US-5395932-A Analgesics, prostaglandin E2 inhibitors G. D. SEARLE & CO. (US) 1995-03-07 US disclosed
WO-1994025456-A1 2-, 3-, 4-, 5-, 6-, 7-, 8-, 9- AND/OR 10-SUBSTITUTED DIBENZOXAZEPINE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE G.D. SEARLE & CO. (US) 1994-11-10 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-20150232459-A1 NOVEL RENIN INHIBITOR REN, AGTR1, ACE ALDH1A1 2192/4885TSHR 915/4885MAPK1 281/4885

“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.