SCHEMBL3116185

SCHEMBL3116185

Cc1nc2ccccc2[n+](C)c1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.44
CYP1A2 P05177 4/20 0.44
ALDH1A1 P00352 3/20 0.44
KDM4E B2RXH2 3/20 0.44
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
POLB P06746 2/20 0.42
MMP14 P50281 2/20 0.42
BLM P54132 2/20 0.42
CASP6 P55212 2/20 0.42
NPC1 O15118 2/20 0.42
APAF1 O14727 1/20 0.42
PABPC1 P11940 1/20 0.42
GPR3 P46089 1/20 0.42
PTPN1 P18031 2/20 0.40
PTPN2 P17706 1/20 0.40
HPGD P15428 2/20 0.38
GAA P10253 1/20 0.38
STAT3 P40763 1/20 0.38
NUDT1 P36639 1/20 0.38

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
Iodide SCHEMBL2028283 0.98 MAPT (0.42) MAPTCYP1A2ALDH1A1KDM4EMEN1
SCHEMBL11606519 0.87 MEN1 (0.38) MAPTCYP1A2ALDH1A1KDM4EMEN1
SCHEMBL2028972 0.82 KDM4E (0.42) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL232685 0.80 POLB (0.58) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL30380175 0.78 CRHBP (0.47) MAPTCYP1A2ALDH1A1KDM4EMEN1
Bromide SCHEMBL11796180 0.73 MAPT (0.47) MAPTCYP1A2ALDH1A1KDM4ENPC1
SCHEMBL905881 0.72 ACHE (0.52) MAPTMEN1KMT2APOLBMMP14
SCHEMBL21732338 0.71 PTPN1 (0.48) PTPN1LMNA
SCHEMBL906144 0.71 POLB (0.54) MAPTALDH1A1MEN1KMT2APOLB
SCHEMBL11710816 0.71 CRHBP (0.49) MAPTALDH1A1KDM4EMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1778176-B1 COMPOSITION FOR COLOURING KERATIN-CONTAINING FIBRES HENKEL AG & CO KGAA (DE) 2012-07-25 EP claimed
US-7678156-B2 Compositions for treating keratinic fibers, methods of treating such fibers therewith and compounds contained therein HENKEL AG & CO. KGAA (DE) 2010-03-16 US claimed
US-20100037909-A1 SUBSTANCES FOR DYEING KERATINOUS FIBERS HENKEL AG & CO. KGAA (DE) 2010-02-18 US claimed
EP-1796627-B1 AGENT FOR COLOURING FIBRES CONTAINING KERATIN HENKEL AG & CO KGAA (DE) 2009-03-04 EP claimed
US-7473280-B2 Coloring agent compositions and methods of treating keratin fibers therewith HENKEL KGAA (DE) 2009-01-06 US claimed
US-20080189877-A1 Mixture of quaternized imidazo[1,5-a]pyrimidinium derivate and benzaldehyde derivative; cationic hair dyes, oxidation color dyes; colorfastness, washfastness HENKEL KGAA (DE) 2008-08-14 US claimed
EP-1432388-B1 AGENT FOR COLOURING FIBRES CONTAINING KERATIN HENKEL AG & CO KGAA (DE) 2008-06-18 EP claimed
EP-1789014-B1 SUBSTANCE FOR DYEING KERATINIC FIBERS HENKEL KGAA (DE) 2008-02-27 EP claimed
US-20070287686-A1 Substance for Dyeing Keratinic Fibers HENKEL KGAA (DE) 2007-12-13 US claimed
EP-1534227-B1 AGENTS USED FOR DYEING KERATINOUS FIBERS HENKEL KGAA (DE) 2006-12-27 EP claimed
EP-1433469-B1 Composition for dyeing keratinous fibres HENKEL KGAA (DE) 2006-10-11 EP claimed
EP-1300134-B1 Agent for dyeing keratinous fibres with isophthalaldehydes HENKEL KGAA (DE) 2006-04-26 EP claimed
EP-2320864-B1 HAIR PREPARATION COMPRISING CHITOSAN SUCCINAMIDE HENKEL AG & CO KGAA (DE) 2017-08-16 EP disclosed
US-7678156-B2 Compositions for treating keratinic fibers, methods of treating such fibers therewith and compounds contained therein HENKEL AG & CO. KGAA (DE) 2010-03-16 US disclosed
US-20100037909-A1 SUBSTANCES FOR DYEING KERATINOUS FIBERS HENKEL AG & CO. KGAA (DE) 2010-02-18 US disclosed
EP-1796627-B1 AGENT FOR COLOURING FIBRES CONTAINING KERATIN HENKEL AG & CO KGAA (DE) 2009-03-04 EP disclosed
US-20080189877-A1 Mixture of quaternized imidazo[1,5-a]pyrimidinium derivate and benzaldehyde derivative; cationic hair dyes, oxidation color dyes; colorfastness, washfastness HENKEL KGAA (DE) 2008-08-14 US disclosed
EP-1891930-A2 Colour intensifying Henkel Kommanditgesellschaft auf Aktien (DE) 2008-02-27 EP disclosed
EP-1789014-B1 SUBSTANCE FOR DYEING KERATINIC FIBERS HENKEL KGAA (DE) 2008-02-27 EP disclosed
US-20070287686-A1 Substance for Dyeing Keratinic Fibers HENKEL KGAA (DE) 2007-12-13 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 (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-20070287686-A1 Substance for Dyeing Keratinic Fibers KRT18, SCNN1B, COL1A1 MAPT 2270/4885CYP1A2 2070/4885ALDH1A1 210/4885
US-20100037909-A1 SUBSTANCES FOR DYEING KERATINOUS FIBERS KRT18, H1-10, COL1A1 MAPT 446/4885CYP1A2 297/4885ALDH1A1 77/4885
US-20080189877-A1 Mixture of quaternized imidazo[1,5-a]pyrimidinium derivate and benzaldehyde derivative; cationic hair dyes, oxidation color dyes; colorfastness, washfastness TYR, NDUFS5, WASHC5 MAPT 2920/4885CYP1A2 644/4885ALDH1A1 25/4885

“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.