SCHEMBL923337

SCHEMBL923337

Cc1cc(C(=O)CC#N)c(C(F)(F)F)o1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C19 P33261 1/20 0.48
KCNH2 Q12809 4/20 0.39
KDM4E B2RXH2 5/20 0.36
BRCA1 P38398 1/20 0.36
HSD17B10 Q99714 1/20 0.36
LMNA P02545 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
HTT P42858 2/20 0.36
TSHR P16473 1/20 0.36
MAPT P10636 5/20 0.35
ALDH1A1 P00352 4/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
HTR1A P08908 1/20 0.34
HTR1D P28221 1/20 0.34
HTR1B P28222 1/20 0.34
GAA P10253 2/20 0.34
SCD O00767 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
SCHEMBL923003 0.86 CYP1A2 (0.43) CYP1A2CYP3A4CYP2C19KCNH2KDM4E
SCHEMBL925112 0.79 MAPT (0.51) CYP1A2CYP3A4CYP2C19KCNH2KDM4E
SCHEMBL14749252 0.75 MAPT (0.38) KDM4EBRCA1HSD17B10SMN1; SMN2HTT
SCHEMBL885485 0.75 NOTUM (0.49) CYP2C19KDM4EHSD17B10HTTMAPT
SCHEMBL420546 0.74 L3MBTL1 (0.43) KDM4EHSD17B10SMN1; SMN2HTTMAPT
SCHEMBL3061999 0.74 MAPT (0.41) KDM4EBRCA1HSD17B10LMNASMN1; SMN2
SCHEMBL2280370 0.72 GAA (0.54) KDM4ELMNASMN1; SMN2TSHRMAPT
SCHEMBL13485763 0.71 KDM4E (0.42) KDM4EBRCA1HSD17B10LMNASMN1; SMN2
SCHEMBL2308270 0.71 ALDH1A1 (0.39) KDM4EBRCA1HSD17B10SMN1; SMN2HTT
SCHEMBL2305192 0.71 MAPT (0.42) KDM4EBRCA1HSD17B10LMNASMN1; SMN2

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 104 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1965753-B1 REVERSIBLY CHANGEABLE HAIR COLOR HENKEL AG & CO KGAA (DE) 2013-09-04 EP claimed
EP-1778176-B1 COMPOSITION FOR COLOURING KERATIN-CONTAINING FIBRES HENKEL AG & CO KGAA (DE) 2012-07-25 EP claimed
US-20100037909-A1 SUBSTANCES FOR DYEING KERATINOUS FIBERS HENKEL AG & CO. KGAA (DE) 2010-02-18 US claimed
US-20080301885-A1 REVERSIBLY CHANGEABLE HAIR COLOR HENKEL AG & CO. KGAA (DE) 2008-12-11 US claimed
EP-1965753-A1 REVERSIBLY CHANGEABLE HAIR COLOR Henkel AG & Co. KGaA (DE) 2008-09-10 EP claimed
WO-2007073922-A1 REVERSIBLY CHANGEABLE HAIR COLOR HENKEL AG & CO. KGAA (DE) 2007-07-05 WO claimed
EP-1778176-A2 MEANS FOR COLOURING KERATIN-CONTAINING FIBRES Henkel Kommanditgesellschaft auf Aktien (DE) 2007-05-02 EP claimed
WO-2005120445-A2 MEANS FOR COLOURING KERATIN-CONTAINING FIBRES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2005-12-22 WO claimed
EP-1900393-B1 Hydrogen peroxide activation with diones and imidazoles HENKEL AG & CO KGAA (DE) 2018-02-28 EP disclosed
EP-2026754-B1 LIGHTENING AND/OR COLOURING AGENT COMPRISING CYCLIC UREA DERIVATIVES HENKEL AG & CO KGAA (DE) 2015-09-30 EP disclosed
CN-103370312-B 1,3-diox-5-ketone compound MERCK PATENT GMBH (DE) 2015-09-30 CN disclosed
EP-2673267-B1 1,3-DIOXAN-5-ONE COMPOUNDS MERCK PATENT GMBH (DE) 2015-06-03 EP disclosed
EP-1944010-B1 Brightening and/or colouring agent with acrylic acid derivative(s) HENKEL AG & CO KGAA (DE) 2015-03-11 EP disclosed
US-8907110-B2 Benzodioxepin-3-one compounds as dyes or as fluorescent emitters MERCK PATENT GMBH (DE) 2014-12-09 US disclosed
WO-2006119821-A1 AGENT FOR DYEING KERATIN-BASED FIBRES HENKEL KOMMANDITGESELLCHAFT AUF AKTIEN (DE) 2006-11-16 WO disclosed
WO-2006119819-A1 AGENT FOR DYEING KERATIN-BASED FIBRES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2006-11-16 WO disclosed
WO-2005120445-A2 MEANS FOR COLOURING KERATIN-CONTAINING FIBRES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2005-12-22 WO disclosed
US-20050272709-A1 Immugenic compositions and diagnostic and therapeutic uses thereof DERMIRA (CANADA), INC. 2005-12-08 US disclosed
EP-1450791-A1 HYDRAZONOPYRAZOLE DERIVATIVES AND THEIR USE AS THERAPEUTICS Kinetek Pharmaceuticals, Inc. (CA) 2004-09-01 EP disclosed
WO-2003045379-A1 HYDRAZONOPYRAZOLE DERIVATIVES AND THEIR USE AS THERAPEUTICS KINETEK PHARMACEUTICALS, INC. (CA) 2003-06-05 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 (3 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-20050272709-A1 Immugenic compositions and diagnostic and therapeutic uses thereof MKI67, CDK4, CCNC CYP1A2 4210/4885CYP3A4 4371/4885CYP2C19 3704/4885
US-20100037909-A1 SUBSTANCES FOR DYEING KERATINOUS FIBERS KRT18, H1-10, COL1A1 CYP1A2 297/4885CYP3A4 296/4885CYP2C19 540/4885
US-20080301885-A1 REVERSIBLY CHANGEABLE HAIR COLOR TYR, CBR3, COXFA4L2 CYP1A2 760/4885CYP3A4 759/4885CYP2C19 943/4885

“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.