SCHEMBL3248707

SCHEMBL3248707

CC(C)c1ccc(-n2ncc(N)c2N)cc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPBWR1 P48145 11/20 0.47
MCHR1 Q99705 10/20 0.47
LMNA P02545 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
ALDH1A1 P00352 2/20 0.41
PKM P14618 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
MEN1 O00255 1/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.41
KMT2A Q03164 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
PTGS1 P23219 1/20 0.40
DGAT1 O75907 1/20 0.40
NOTUM Q6P988 2/20 0.39

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 SCHEMBL5413585 0.98 NPBWR1 (0.46) NPBWR1MCHR1LMNANPSR1TDP1
SCHEMBL20712771 0.84 NPBWR1 (0.46) NPBWR1MCHR1LMNANPSR1TDP1
SCHEMBL3252312 0.83 RAB9A (0.44) NPBWR1MCHR1LMNAALDH1A1SMN1; SMN2
SCHEMBL3251404 0.79 RAB9A (0.56) LMNANPSR1ALDH1A1PKMSMN1; SMN2
SCHEMBL2988609 0.79 RAB9A (0.56) LMNAALDH1A1PKMSMN1; SMN2NPC1
Hydrochloric Acid SCHEMBL5413922 0.78 RAB9A (0.54) LMNANPSR1ALDH1A1PKMSMN1; SMN2
SCHEMBL6532361 0.78 PTPN1 (0.54) LMNAALDH1A1SMN1; SMN2RAB9APOLB
Hydrochloric Acid SCHEMBL5414203 0.78 NPBWR1 (0.44) NPBWR1MCHR1LMNANPSR1TDP1
SCHEMBL2996492 0.75 MAPK14 (0.56) NPBWR1MCHR1LMNANPSR1ALDH1A1
SCHEMBL1753026 0.75 NPC1 (0.63) NPSR1ALDH1A1SMN1; SMN2NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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

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 NPBWR1 3544/4885MCHR1 469/4885LMNA 1823/4885
US-20060183781-A1 Novel thiazolylmethyl pyrazoles, method for the production thereof, and use thereof in dyes for keratin fibers KRT18, CBR3, CDC73 NPBWR1 3445/4885MCHR1 3845/4885LMNA 581/4885
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 NPBWR1 2866/4885MCHR1 8/4885LMNA 268/4885

“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.