SCHEMBL3249550

SCHEMBL3249550

Cc1ccc(C)c(-n2ncc(N)c2N)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.47
ALDH1A1 P00352 4/20 0.44
TDP1 Q9NUW8 2/20 0.44
HSD17B10 Q99714 2/20 0.43
NPBWR1 P48145 1/20 0.42
MCHR1 Q99705 1/20 0.42
CNR2 P34972 1/20 0.42
KMT2A Q03164 3/20 0.40
GAA P10253 2/20 0.40
HPGD P15428 2/20 0.40
MEN1 O00255 1/20 0.40
TP53 P04637 3/20 0.39
MAPK14 Q16539 1/20 0.38
POLB P06746 1/20 0.38
HTT P42858 3/20 0.38
LMNA P02545 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
HKDC1 Q2TB90 1/20 0.38
NPC1 O15118 2/20 0.37

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
Hydrochloric Acid SCHEMBL5419642 0.98 MAPT (0.46) MAPTALDH1A1TDP1HSD17B10NPBWR1
SCHEMBL3255793 0.86 HTT (0.49) MAPTALDH1A1TDP1HSD17B10NPBWR1
Hydrochloric Acid SCHEMBL5418181 0.85 HTT (0.48) MAPTALDH1A1TDP1HSD17B10NPBWR1
SCHEMBL850278 0.80 MAPT (0.39) MAPTALDH1A1TDP1HSD17B10NPBWR1
SCHEMBL838991 0.80 KMT2A (0.62) MAPTALDH1A1HSD17B10NPBWR1MCHR1
SCHEMBL3251762 0.79 MAPK14 (0.57) MAPTALDH1A1TDP1KMT2AGAA
SCHEMBL8029733 0.79 RIPK2 (0.52) ALDH1A1HSD17B10NPBWR1MCHR1CNR2
Hydrochloric Acid SCHEMBL5402695 0.77 MAPK14 (0.56) MAPTALDH1A1TDP1KMT2AMEN1
SCHEMBL3251404 0.74 RAB9A (0.56) MAPTALDH1A1KMT2AMEN1TP53
SCHEMBL6087496 0.74 LMNA (0.45) MAPTALDH1A1HSD17B10KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1562540-B1 N-ARYL-4,5-DIAMINOPYRAZOLS AND DYES CONTAINING SAID COMPOUNDS WELLA AG (DE) 2006-08-30 EP claimed
EP-1685091-B1 M-DIAMINOBENZOLES AND THE ACIDIC ADDUCTS THEREOF AND USE THEREOF IN COLOURING AGENTS PROCTER & GAMBLE (US) 2010-05-19 EP disclosed
EP-1718601-B1 (3,5-DIAMINOPHENYL)(2,4-DIHYDROXYPHENYL)METHANONE AND ITS ACID ADDUCTS, METHOD FOR THE PRODUCTION OF THE LATTER AND USE OF SAID COMPOUNDS FOR COLOURING FIBRES WELLA AG (DE) 2009-03-25 EP disclosed
US-7455697-B2 (3,5-diaminophenyl)(2,4-dihydroxyphenyl)methanone and the acid adducts thereof, method for their preparation and use of these compounds for dyeing fibers WELLA AG (DE) 2008-11-25 US disclosed
US-7361198-B2 M-diaminobenzenes, their acid adducts and the use thereof in colorants WELLA AG (DE) 2008-04-22 US disclosed
US-20070180629-A1 (3,5-Diaminophenyl)(2,4-dihydroxyphenyl)methanone and the acid adducts thereof, method for their preparation and use of these compounds for dyeing fibers Wella GmbH (DE) 2007-08-09 US disclosed
US-7195649-B2 N-aryl-4,5-diaminopyrazoles and dyes containing said compounds WELLA AG (DE) 2007-03-27 US disclosed
US-7195649-B2 N-aryl-4,5-diaminopyrazoles and dyes containing said compounds WELLA AG (DE) 2007-03-27 US disclosed
EP-1718601-A1 (3,5-DIAMINOPHENYL)(2,4-DIHYDROXYPHENYL)METHANONE AND ITS ACID ADDUCTS, METHOD FOR THE PRODUCTION OF THE LATTER AND USE OF SAID COMPOUNDS FOR COLOURING FIBRES Wella Aktiengesellschaft (DE) 2006-11-08 EP disclosed
EP-1636219-B1 NOVEL THIAZOLYLMETHYL PYRAZOLES, METHOD FOR THE PRODUCTION THEREOF, AND USE THEREOF IN DYES FOR KERATIN FIBERS WELLA AG (DE) 2006-11-02 EP disclosed
US-20060183781-A1 Novel thiazolylmethyl pyrazoles, method for the production thereof, and use thereof in dyes for keratin fibers WELLA AG (DE) 2006-08-17 US disclosed
EP-1685091-A1 M-DIAMINOBENZOLES AND THE ACIDIC ADDUCTS THEREOF AND USE THEREOF IN COLOURING AGENTS Wella Aktiengesellschaft (DE) 2006-08-02 EP disclosed
EP-1636219-A1 NOVEL THIAZOLYLMETHYL PYRAZOLES, METHOD FOR THE PRODUCTION THEREOF, AND USE THEREOF IN DYES FOR KERATIN FIBERS Wella Aktiengesellschaft (DE) 2006-03-22 EP disclosed
US-20060047172-A1 M-diaminobenzenes, their acid adducts and the use thereof in colorants Wella GmbH (DE) 2006-03-02 US disclosed
WO-2005080315-A1 (3,5-DIAMINOPHENYL)(2,4-DIHYDROXYPHENYL)METHANONE AND ITS ACID ADDUCTS, METHOD FOR THE PRODUCTION OF THE LATTER AND USE OF SAID COMPOUNDS FOR COLOURING FIBRES WELLA AKTIENGESELLSCHAFT (DE) 2005-09-01 WO disclosed
WO-2005051889-A1 M-DIAMINOBENZOLES AND THE ACIDIC ADDUCTS THEREOF AND USE THEREOF IN COLOURING AGENTS WELLA AKTIENGESELLSCHAFT (DE) 2005-06-09 WO disclosed
WO-2004106332-A1 NOVEL THIAZOLYLMETHYL PYRAZOLES, METHOD FOR THE PRODUCTION THEREOF, AND USE THEREOF IN DYES FOR KERATIN FIBERS WELLA AKTIENGESELLSCHAFT (DE) 2004-12-09 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-20060047172-A1 M-diaminobenzenes, their acid adducts and the use thereof in colorants DDT, NQO1, MDH2 MAPT 2944/4885ALDH1A1 25/4885TDP1 1460/4885
US-20060183781-A1 Novel thiazolylmethyl pyrazoles, method for the production thereof, and use thereof in dyes for keratin fibers KRT18, CBR3, CDC73 MAPT 1787/4885ALDH1A1 118/4885TDP1 2790/4885
US-20070180629-A1 (3,5-Diaminophenyl)(2,4-dihydroxyphenyl)methanone and the acid adducts thereof, method for their preparation and use of these compounds for dyeing fibers GRHPR, MB, COX5B MAPT 2350/4885ALDH1A1 118/4885TDP1 404/4885

“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.