SCHEMBL145993

SCHEMBL145993

Nc1ccc(N)c(-c2ccsc2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.55
IMPDH2 P12268 1/20 0.54
CYP2A6 P11509 5/20 0.45
TDO2 P48775 1/20 0.44
MAPT P10636 2/20 0.40
IKBKB O14920 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
CYP2B6 P20813 2/20 0.39
CYP2E1 P05181 1/20 0.39
BACE1 P56817 1/20 0.38
GAA P10253 1/20 0.37
CHEK2 O96017 1/20 0.37
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
MAOB P27338 1/20 0.36
HDAC1 Q13547 1/20 0.35
PTPRC P08575 1/20 0.35
LPL P06858 1/20 0.35

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 SCHEMBL6740203 0.98 KCNH2 (0.53) KCNH2IMPDH2CYP2A6TDO2MAPT
SCHEMBL5175466 0.86 KCNH2 (0.45) KCNH2IMPDH2CYP2A6TDO2MAPT
SCHEMBL692248 0.84 IMPDH2 (0.54) KCNH2IMPDH2CYP2A6TDO2MAPT
SCHEMBL34467254 0.83 KCNH2 (0.57) KCNH2IMPDH2CYP2A6TDO2MAPT
Hydrochloric Acid SCHEMBL456649 0.82 IMPDH2 (0.53) KCNH2IMPDH2CYP2A6TDO2MAPT
SCHEMBL1378848 0.81 PELI1 (0.54) KCNH2IMPDH2CYP2A6TDO2MAPT
SCHEMBL6255907 0.81 PELI1 (0.53) KCNH2IMPDH2CYP2A6TDO2MAPT
SCHEMBL18516478 0.81 KCNH2 (0.52) KCNH2IMPDH2CYP2A6TDO2MAPT
SCHEMBL27684579 0.81 KCNH2 (0.52) KCNH2IMPDH2CYP2A6TDO2MAPT
Hydrochloric Acid SCHEMBL6287793 0.79 PELI1 (0.53) KCNH2IMPDH2CYP2A6TDO2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1494995-B1 3-AMINOPHENOL DERIVATIVES SUBSTITUTED IN THE 2-POSITION, AND DYES CONTAINING THESE COMPOUNDS PROCTER & GAMBLE (US) 2010-09-22 EP claimed
EP-1752192-B1 Oxidizing hair coloring agents containing m-Aminophenol derivatives PROCTER & GAMBLE (US) 2010-02-03 EP claimed
CN-100549003-C 3-aminophenol derivatives and keratin fibre colorants comprising these compounds P & G CLAIROL INC (US) 2009-10-14 CN claimed
US-7491244-B2 Oxidizing hair coloring agents containing m-aminophenol derivatives THE PROCTER & GAMBLE COMPANY (US) 2009-02-17 US claimed
EP-1670423-B1 DYE-CONTAINING PELLETS FOR DYEING KERATIN FIBRES WELLA AG (DE) 2008-10-08 EP claimed
CN-100358887-C m-aminophenol derivatives and dyes containing these compounds P & G CLAIROL INC (US) 2008-01-02 CN claimed
CN-100349886-C 1, 3-dihydroxybenzene derivatives and coloring agents containing the same WELLA AG (US) 2007-11-21 CN claimed
US-20070067923-A1 1,3-Diaminobenzene derivatives and colorants comprising these compounds PROCTER & GAMBLE COMPANY, THE 2007-03-29 US claimed
EP-1760072-A1 1,3-diaminobenzene derivatives and colorants comprising these compounds Wella Aktiengesellschaft (DE) 2007-03-07 EP claimed
US-20070033745-A1 Developer substance-coupler substance of 3-(1-pyrrolidinyl)phenol and 1,4-diaminobenzene PROCTER & GAMBLE COMPANY, THE 2007-02-15 US claimed
US-20030093867-A1 Dyes for keratin fibres containing 1,3-diamino-4-heteroarylbenzene derivatives and novel 1,3-diamino-4-heteroarylbenzene derivatives HFC PRESTIGE INTERNATIONAL OPERATIONS SWITZERLAND SÀRL (CH) 2003-05-22 US claimed
US-6503282-B1 Composition for coloring keratin fibers based on a developer-coupler combination characterized in that it contains as the coupler 3-(2,4-diaminophenoxy)-1-propanol and as the developer ring and having general formula (I) WELLA AKTIENGESELLSCHAFT (DE) 2003-01-07 US claimed
US-6409773-B1 AMINOPHENOL COUPLERS CLAIROL INCORPORATED 2002-06-25 US claimed
WO-2002047635-A1 NOVEL COUPLER FOR USE IN OXIDATIVE HAIR DYEING P&G-CLAIROL, INC. (US) 2002-06-20 WO claimed
EP-0963982-B1 New diaminobenzene derivatives and these componends containing colouring agents WELLA AG (DE) 2002-03-13 EP claimed
EP-1166749-A2 Composition and process for dyeing keratinic fibres Wella Aktiengesellschaft (DE) 2002-01-02 EP claimed
EP-1158954-A1 MEANS AND METHOD FOR DYING KERATINIC FIBRES Wella Aktiengesellschaft (DE) 2001-12-05 EP claimed
WO-2001051019-A1 MEANS AND METHOD FOR DYING KERATINIC FIBRES WELLA AKTIENGESELLSCHAFT (DE) 2001-07-19 WO claimed
US-6132475-A FOR OXIDATION DYEING OF KERATIN FIBERS; INCLUDES COUPLER AND DEVELOPER, IN WHICH THE DEVELOPER IS A SUBSTITUTED 2-(FURYL, THIENYL, PYRROLYL, OR SELENOPHENE) P-DIAMINOBENZENE DERIVATIVE OF GIVEN FORMULA; COLORFASTNESS, WASHFASTNESS WELLA AKTIENGESELLSCHAFT (DE) 2000-10-17 US claimed
EP-0963982-A2 New diaminobenzene derivatives and these componends containing colouring agents Wella Aktiengesellschaft (DE) 1999-12-15 EP claimed

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-20070067923-A1 1,3-Diaminobenzene derivatives and colorants comprising these compounds KRT18, DSP, DSG1 KCNH2 2187/4885IMPDH2 1520/4885CYP2A6 659/4885
US-20070033745-A1 Developer substance-coupler substance of 3-(1-pyrrolidinyl)phenol and 1,4-diaminobenzene TACR1, KRT18, AKR1C4 KCNH2 1851/4885IMPDH2 2760/4885CYP2A6 288/4885
US-20030093867-A1 Dyes for keratin fibres containing 1,3-diamino-4-heteroarylbenzene derivatives and novel 1,3-diamino-4-heteroarylbenzene derivatives KRT18, DSP, TUBB4B KCNH2 615/4885IMPDH2 3411/4885CYP2A6 2738/4885

“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.