SCHEMBL4796485

SCHEMBL4796485

C[CH]c1c(Br)cccc1Br

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.39
▸ MAPK1 P28482 2/20 0.36
▸ MAOB P27338 2/20 0.34
▸ CA1 P00915 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ CA4 P22748 1/20 0.33
▸ CA6 P23280 1/20 0.33
▸ ACHE P22303 1/20 0.32
▸ PDPK1 O15530 1/20 0.31
▸ PLCG1 P19174 1/20 0.31
▸ AHR P35869 1/20 0.31
▸ GABRA1 P14867 1/20 0.31
▸ GABRB2 P47870 1/20 0.31
▸ TSHR P16473 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
SCHEMBL18378116 0.72 GABRA1 (0.39) ALDH1A1MAPK1MAOBCA1CA2
SCHEMBL11155599 0.71 CYP3A4 (0.41) AHRGABRA1GABRB2TSHR
SCHEMBL320296 0.71 TP53 (0.37) ALDH1A1MAPK1MAOBCA1CA2
SCHEMBL610877 0.71 ALDH1A1 (0.48) ALDH1A1MAOBCA1CA2CA4
SCHEMBL5950626 0.71 MAOB (0.34) ALDH1A1MAPK1MAOBCA1CA2
SCHEMBL18242699 0.70 ALDH1A1 (0.35) ALDH1A1MAPK1MAOBCA1CA2
SCHEMBL31732969 0.69 KMT2A (0.41) ALDH1A1MAOBPDPK1
SCHEMBL9569773 0.69 MAOB (0.46) ALDH1A1MAOBCA1CA2CA4
SCHEMBL18242825 0.69 CYP2A6 (0.44) ALDH1A1TSHR
SCHEMBL723722 0.69 — —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10451967-B2 Acid- and radical-generating agent and method for generating acid and radical FUJIFILM WAKO PURE CHEMICAL CORPORATION (JP) 2019-10-22 — — US disclosed
US-20160342084-A1 ACID- AND RADICAL-GENERATING AGENT AND METHOD FOR GENERATING ACID AND RADICAL FUJIFILM WAKO PURE CHEMICAL CORPORATION (JP) 2016-11-24 — — US disclosed
CN-105764885-A Acid- and radical-generating agent and method for generating acid and radical 和光纯药工业株式会社 2016-07-13 — — CN disclosed
US-7342031-B2 Thiadiazole compound and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2008-03-11 — — US disclosed
US-20070293510-A1 Thiadiazole compounds and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED ( A JAPANESE CORPORATION) (JP) 2007-12-20 — — US disclosed
US-7273879-B2 Thiadiazole compounds and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-09-25 — — US disclosed
US-20060014962-A1 Thiadiazole compound and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2006-01-19 — — US disclosed
US-20050215578-A1 Thiadiazole compounds and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2005-09-29 — — US disclosed
EP-1550661-A1 THIADIAZOLE COMPOUND AND USE THEREOF Sumitomo Chemical Company, Limited (JP) 2005-07-06 — — EP disclosed
EP-1475374-A1 THIADIAZOLE COMPOUNDS AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2004-11-10 — — 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 (5 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-20050215578-A1 Thiadiazole compounds and use thereof C5, C3AR1, TH ALDH1A1 654/4885MAPK1 509/4885MAOB 641/4885
US-10451967-B2 Acid- and radical-generating agent and method for generating acid and radical CBR1, HAO2, CBR3 ALDH1A1 151/4885MAPK1 1089/4885MAOB 785/4885
US-20160342084-A1 ACID- AND RADICAL-GENERATING AGENT AND METHOD FOR GENERATING ACID AND RADICAL CBR1, HAO2, CBR3 ALDH1A1 151/4885MAPK1 1089/4885MAOB 785/4885
US-20060014962-A1 Thiadiazole compound and use thereof CBR3, TH, CYP2E1 ALDH1A1 279/4885MAPK1 1254/4885MAOB 410/4885
US-20070293510-A1 Thiadiazole compounds and use thereof C5, C3AR1, TH ALDH1A1 683/4885MAPK1 488/4885MAOB 700/4885

“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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