SCHEMBL461795

SCHEMBL461795

Oc1ccc2c(c1)CCNO2

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 5/20 0.48
DRD4 P21917 2/20 0.48
ESR2 Q92731 3/20 0.44
ESR1 P03372 2/20 0.44
DRD1 P21728 3/20 0.42
CYP3A4 P08684 1/20 0.39
DRD3 P35462 3/20 0.38
DRD5 P21918 2/20 0.38
MAOA P21397 2/20 0.38
MAOB P27338 2/20 0.38
PRKCI P41743 1/20 0.38
PBRM1 Q86U86 1/20 0.36
AKT1 P31749 1/20 0.35
PTGS2 P35354 1/20 0.35
CA2 P00918 1/20 0.35
CA5A P35218 1/20 0.35
HSP90AA1 P07900 1/20 0.34

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
SCHEMBL11352916 0.81 HTR2C (0.50)
SCHEMBL461270 0.77 CASP1 (0.40) PRKCIAKT1CA2
SCHEMBL4583944 0.75 MMP3 (0.41) DRD2DRD4ESR2ESR1DRD1
SCHEMBL187618 0.71 HTR2C (0.46) MAOAMAOB
SCHEMBL7034209 0.71 HTR2C (0.46) MAOAMAOB
SCHEMBL29687441 0.71 HTR2C (0.46) MAOAMAOB
SCHEMBL29674920 0.71 CTNNB1 (0.49) ESR2ESR1CYP3A4MAOAMAOB
SCHEMBL459693 0.71 CTNNB1 (0.49) ESR2ESR1CYP3A4MAOAMAOB
SCHEMBL281830 0.69 PRKCI (0.56) ESR2ESR1CYP3A4MAOAMAOB
SCHEMBL28874219 0.69 CTNNB1 (0.48) ESR2ESR1CYP3A4MAOAMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4785024-B2 2011-10-05 JP claimed
EP-1494995-B1 3-AMINOPHENOL DERIVATIVES SUBSTITUTED IN THE 2-POSITION, AND DYES CONTAINING THESE COMPOUNDS PROCTER & GAMBLE (US) 2010-09-22 EP claimed
US-RE41549-E1 Dyes for keratin fibers, the dyes containing n-benzyl-p-phenylenediamine derivatives and novel n-benzyl-p-phenylenediamine derivatives WELLA AG (DE) 2010-08-24 US claimed
EP-1670423-B1 DYE-CONTAINING PELLETS FOR DYEING KERATIN FIBRES WELLA AG (DE) 2008-10-08 EP claimed
EP-1601335-B1 MEANS AND METHOD FOR THE SIMULTANEOUS BLEACHING AND DYEING OF KERATIN FIBRES WELLA AG (DE) 2008-03-19 EP claimed
EP-1351945-B1 NOVEL 1,4-DIAMINO-2-(THIAZOL-2-YL)BENZENE DERIVATIVES AND DYES CONTAINING SAID COMPOUNDS WELLA AG (DE) 2008-01-23 EP claimed
EP-1599178-B1 MEANS AND METHOD FOR DYEING KERATIN FIBRES WELLA AG (DE) 2007-12-19 EP claimed
US-7294151-B2 Means and method for dyeing keratin fibres WELLA AG (DE) 2007-11-13 US claimed
US-7291183-B2 Agent and method for dyeing keratin fibers WELLA AG (DE) 2007-11-06 US claimed
US-20070169287-A1 P-diaminobenzene derivatives and dyes containing these compounds THE PROCTER & GAMBLE COMPANY (US) 2007-07-26 US claimed
EP-1183227-A1 P-DIAMINOBENZENE DERIVATIVES AND DYES CONTAINING SAID COMPOUNDS Wella Aktiengesellschaft (DE) 2002-03-06 EP claimed
EP-0943614-B1 Dyeing agents comprising diaminobenzene derivatives and the diaminobenzene derivatives WELLA AG (DE) 2001-12-12 EP claimed
WO-2001085683-A2 PYRROLYL-, FURANYL- AND THIENYL-SUBSTITUTED P-AMINOPHENOLS AND COLORANTS CONTAINING SAID COMPOUNDS WELLA AKTIENGESELLSCHAFT (DE) 2001-11-15 WO claimed
EP-1153917-A1 p-Aminophenol derivatives and colorants containing them Wella Aktiengesellschaft (DE) 2001-11-14 EP claimed
WO-2001072686-A1 P-DIAMINOBENZENE DERIVATIVES AND DYES CONTAINING SAID COMPOUNDS WELLA AKTIENGESELLSCHAFT (DE) 2001-10-04 WO claimed
EP-1116711-A2 2-aminoalkyl-1,4-diaminobenzene derivatives and dye composition containing these compounds Wella Aktiengesellschaft (DE) 2001-07-18 EP 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
US-6042620-A FOR DYEING KERATIN FIBERS SUCH AS HAIR WELLA AG (DE) 2000-03-28 US claimed
EP-0963982-A2 New diaminobenzene derivatives and these componends containing colouring agents Wella Aktiengesellschaft (DE) 1999-12-15 EP claimed
EP-0943614-A2 Dyeing agents comprising diaminobenzene derivatives and the diaminobenzene derivatives Wella Aktiengesellschaft (DE) 1999-09-22 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 (1 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-20070169287-A1 P-diaminobenzene derivatives and dyes containing these compounds KRT18, DSP, DSG1 DRD2 583/4885DRD4 631/4885ESR2 1719/4885

“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.