SCHEMBL5164437

SCHEMBL5164437

CC1=CC(=O)C=CC1=NO

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PABPC1 P11940 1/20 0.46
▸ MAPT P10636 2/20 0.41
▸ HTT P42858 1/20 0.41
▸ ERBB2 P04626 1/20 0.33
▸ MIF P14174 1/20 0.32
▸ MAPK1 P28482 2/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ BCHE P06276 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ MAOA P21397 1/20 0.32
▸ ACHE P22303 1/20 0.32
▸ MAOB P27338 1/20 0.32
▸ APEX1 P27695 1/20 0.32
▸ CASP1 P29466 1/20 0.32
▸ RECQL P46063 1/20 0.32
▸ BLM P54132 1/20 0.32
▸ MDM2 Q00987 1/20 0.32
▸ DHODH Q02127 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ APOBEC3G Q9HC16 1/20 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
SCHEMBL11815995 0.76 PABPC1 (0.46) PABPC1MAPTHTTERBB2MAPK1
SCHEMBL31228706 0.76 — —
SCHEMBL11486250 0.73 ALDH1A1 (0.33) ERBB2MAPK1ALDH1A1BCHEPOLB
SCHEMBL5968890 0.71 ALDH1A1 (0.32) MAPK1ALDH1A1BCHEPOLBMAOA
SCHEMBL11420164 0.70 DDAH1 (0.42) MAPTHTTMAPK1ALDH1A1TDP1
SCHEMBL30989896 0.68 — —
SCHEMBL14271132 0.67 SETD7 (0.39) MAPTHTTERBB2MIFMAPK1
SCHEMBL5161445 0.67 MAPT (0.41) PABPC1MAPTHTTERBB2MAPK1
SCHEMBL22980337 0.67 ERBB2 (0.35) MAPTHTTERBB2MAPK1ACHE
SCHEMBL11422063 0.67 MAPT (0.42) MAPTHTTMAPK1ALDH1A1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1399114-B1 AGENT CONTAINING QUINONIMINE DERIVATIVES AND USED TO COLOUR KERATIN FIBRES, AND ASSOCIATED METHOD WELLA AG (DE) 2007-03-28 — — EP disclosed
US-7056349-B2 Agent containing quinonimine derivatives and used to color keratin fibres, and associated method WELLA AG (DE) 2006-06-06 — — US disclosed
WO-2006037496-A1 POLYHALOGENATED PROPENE BENZOQUINONE DIOXIME DERIVATIVES AND ITS USE AS PESTICIDES BAYER CROPSCIENCE AG (DE) 2006-04-13 — — WO disclosed
EP-1399114-A1 AGENT CONTAINING QUINONIMINE DERIVATIVES AND USED TO COLOUR KERATIN FIBRES, AND ASSOCIATED METHOD Wella Aktiengesellschaft (DE) 2004-03-24 — — EP disclosed
US-20030182736-A1 Agent containing quinonimine derivatives and used to colour keratin fibres, and associated method HFC PRESTIGE INTERNATIONAL HOLDING SWITZERLAND S.A.R.L (CH) 2003-10-02 — — US disclosed
WO-2002102336-A1 AGENT CONTAINING QUINONIMINE DERIVATIVES AND USED TO COLOUR KERATIN FIBRES, AND ASSOCIATED METHOD WELLA AKTIENGESELLSCHAFT (DE) 2002-12-27 — — WO disclosed
US-4237326-A SOLUTION OF METHYLATED BENZOQUINONE-4-OXIME MITSUBISHI PETROCHEMICAL COMPANY LIMITED (JP) 1980-12-02 — — US disclosed
US-3972905-A FUNGICIDE BAYER AKTIENGESELLSCHAFT (DT) 1976-08-03 — — US 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-20030182736-A1 Agent containing quinonimine derivatives and used to colour keratin fibres, and associated method KRT18, MKI67, F12 PABPC1 3724/4885MAPT 661/4885HTT 1655/4885

“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