SCHEMBL333955

SCHEMBL333955

C1=C(NCc2ccccc2)OCO1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.39
HTT P42858 1/20 0.39
MAOA P21397 1/20 0.39
FABP1 P07148 1/20 0.38
FABP6 P51161 1/20 0.38
KMT2A Q03164 5/20 0.38
MEN1 O00255 3/20 0.38
IDO1 P14902 2/20 0.38
RAD52 P43351 2/20 0.38
THRB P10828 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
ALDH1A1 P00352 3/20 0.37
LMNA P02545 3/20 0.37
CYP1A2 P05177 2/20 0.37
CYP3A4 P08684 2/20 0.37
CYP2D6 P10635 2/20 0.37
MAPK1 P28482 2/20 0.37
CYP2C19 P33261 2/20 0.37
USP2 O75604 1/20 0.37
CYP2C9 P11712 1/20 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
SCHEMBL5033376 0.76 GSK3B (0.54) HTTKMT2AMEN1ALDH1A1LMNA
SCHEMBL7703948 0.73 MEN1 (0.45) MAOAKMT2AMEN1THRBTDP1
SCHEMBL15844125 0.68 HSD17B10 (0.40) HSD17B10HTTMAOAFABP1FABP6
SCHEMBL218277 0.65 MAOA (0.39) HSD17B10MAOATDP1ALDH1A1CYP1A2
SCHEMBL3374310 0.65 POLB (0.48) HSD17B10HTTFABP1FABP6KMT2A
N-Benzylaniline SCHEMBL7840 0.64 HTT (0.71) HTTKMT2AMEN1ALDH1A1CYP1A2
SCHEMBL1924100 0.64 HTT (0.78) HTTKMT2AMEN1ALDH1A1CYP1A2
SCHEMBL22628164 0.64 HTT (0.71) HTTKMT2AMEN1ALDH1A1CYP1A2
SCHEMBL4571036 0.64 HSD17B10 (0.71) HSD17B10HTTFABP1FABP6KMT2A
SCHEMBL30464743 0.64 HSD17B10 (0.71) HSD17B10HTTFABP1FABP6KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2678079-B1 OXIDATIVE DYEING COMPOSITIONS COMPRISING AN 1-HEXYL/HEPTYL-4,5-DIAMINOPYRAZOLE AND A BENZO[1,3]DIOXOL-5-YLAMINE AND DERIVATIVES THEREOF NOXELL CORP (US) 2017-08-02 EP claimed
WO-2013085553-A2 OXIDATIVE DYEING COMPOSITIONS COMPRISING AN 1-HEXYL/HEPTYL-4,5-DIAMINOPYRAZOLE AND A BENZO[1,3]DIOXOL-5-YLAMINE AND DERIVATIVES THEREOF THE PROCTER & GAMBLE COMPANY (US) 2013-06-13 WO claimed
US-8444712-B2 Oxidative dyeing compositions comprising an 1-hexyl/heptyl-4,5-diaminopyrazole and a benzo[1,3]dioxol-5-ylamine and derivatives thereof THE PROCTER & GAMBLE COMPANY (US) 2013-05-21 US claimed
US-20120210521-A1 Oxidative Dyeing Compositions Comprising an 1-Hexyl/Heptyl-4,5-diaminopyrazole and a Benzo[1,3]dioxol-5-ylamine and Derivatives Thereof WELLA OPERATIONS US, LLC 2012-08-23 US claimed
EP-2678079-B1 OXIDATIVE DYEING COMPOSITIONS COMPRISING AN 1-HEXYL/HEPTYL-4,5-DIAMINOPYRAZOLE AND A BENZO[1,3]DIOXOL-5-YLAMINE AND DERIVATIVES THEREOF NOXELL CORP (US) 2017-08-02 EP disclosed
US-9365582-B2 Macrocyclic inhibitors of hepatitis C virus JANSSEN SCIENCES IRELAND UC (IE) 2016-06-14 US disclosed
EP-1799684-B1 LACTAM COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS MILLENNIUM PHARM INC (US) 2014-12-03 EP disclosed
US-20140113929-A1 MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS Janssen R&D Ireland (formerly Tibotec Pharmaceuticals) (IE) 2014-04-24 US disclosed
US-8637663-B2 Macrocyclic inhibitors of hepatitis C virus JANSSEN R&D IRELAND (IE) 2014-01-28 US disclosed
EP-2418205-B1 Pyrimidine urea derivatives as kinase inhibitors NOVARTIS AG (CH) 2014-01-22 EP disclosed
CN-103458863-A Oxidative dyeing composition comprising 1-hexyl/heptyl-4,5-diaminopyrazole and benzo[1,3]dioxol-5-ylamine and derivatives thereof PROCTER & GAMBLE 2013-12-18 CN disclosed
CN-103458863-A Oxidative dyeing composition comprising 1-hexyl/heptyl-4,5-diaminopyrazole and benzo[1,3]dioxol-5-ylamine and derivatives thereof PROCTER & GAMBLE 2013-12-18 CN disclosed
WO-2002079144-A1 (P-AMINO-HYDROXYPHENYL)-ACRYLAMIDE DERIVATIVES AND DYES CONTAINING SAID COMPOUNDS WELLA AKTIENGESELLSCHAFT (DE) 2002-10-10 WO disclosed
WO-2002074731-A1 3-(2,5-DIAMINOPHENYL)-ACRYLAMIDE DERIVATIVES AND COLOURING AGENTS CONTAINING SAID COMPOUNDS WELLA AKTIENGESELLSCHAFT (DE) 2002-09-26 WO disclosed
WO-2002072556-A1 NOVEL DIAMINOPYRAZOLE DERIVATIVES AND DYES CONTAINING SAID COMPOUNDS WELLA AKTIENGESELLSCHAFT (DE) 2002-09-19 WO disclosed
US-6410529-B1 DIETETICS; NON-INSULIN DEPENDENT DIABETES; SLEEP DISORDERS SMITHKLINE BEECHAM P.L.C. (GB) 2002-06-25 US disclosed
EP-1030838-A1 METHOD OF SYNTHESIS OF PYRROLE AMIDES Pfizer Products Inc. (US) 2000-08-30 EP disclosed
EP-1003737-A1 PHENYL UREA AND PHENYL THIOUREA DERIVATIVES AS HFGAN72 ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 2000-05-31 EP disclosed
WO-1999025684-A1 METHOD OF SYNTHESIS OF PYRROLE AMIDES PFIZER PRODUCTS INC. (US) 1999-05-27 WO disclosed
WO-1999009024-A1 PHENYL UREA AND PHENYL THIOUREA DERIVATIVES AS HFGAN72 ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1999-02-25 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 (2 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-20120210521-A1 Oxidative Dyeing Compositions Comprising an 1-Hexyl/Heptyl-4,5-diaminopyrazole and a Benzo[1,3]dioxol-5-ylamine and Derivatives Thereof KRT18, HK1, AOX1 HSD17B10 2421/4885HTT 2037/4885MAOA 388/4885
US-20140113929-A1 MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS HCCS, HAVCR2, IFNAR1 HSD17B10 536/4885HTT 3567/4885MAOA 2709/4885

“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.