SCHEMBL180817

SCHEMBL180817

Nc1ccc(NCCNc2ccc(N)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.55
MAPT P10636 6/20 0.55
GAA P10253 1/20 0.48
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
ALDH1A1 P00352 4/20 0.46
CYP3A4 P08684 3/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
ALOX12 P18054 1/20 0.46
CYP2C19 P33261 1/20 0.46
HTT P42858 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
MAOA P21397 1/20 0.45
MAOB P27338 1/20 0.45
RAB9A P51151 1/20 0.44
RAD52 P43351 1/20 0.42
PRSS1 P07477 4/20 0.41
TDP1 Q9NUW8 2/20 0.41
GFER P55789 1/20 0.41

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 SCHEMBL4952599 0.97 APP (0.53) APPMAPTGAAMEN1KMT2A
SCHEMBL5155907 0.92 APP (0.50) APPMAPTGAAMEN1KMT2A
Hydrochloric Acid SCHEMBL5467007 0.90 APP (0.48) APPMAPTGAAMEN1KMT2A
SCHEMBL34107 0.89 PRSS1 (0.54) APPMAPTMEN1KMT2AALDH1A1
SCHEMBL2024986 0.89 MAPT (0.56) APPMAPTMEN1KMT2AALDH1A1
SCHEMBL13495577 0.88 MAPT (0.50) APPMAPTGAAMEN1KMT2A
SCHEMBL9155154 0.88 APP (0.52) APPMAPTGAAALDH1A1MAOA
SCHEMBL9437989 0.88 THRB (0.59) APPMAPTGAAMEN1KMT2A
SCHEMBL9452414 0.87 MAPT (0.61) APPMAPTGAAMEN1KMT2A
SCHEMBL459767 0.87 APP (0.55) APPMAPTGAAMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4452214-A1 COMPOSITION FOR KERATIN FIBERS L'OREAL (FR) 2024-10-30 EP disclosed
EP-4444258-A1 COMPOSITION COMPRISING A PARTICULAR OXIDATION DYE PRECURSOR, AN OXYALKYLENATED FATTY ALCOHOL AND A POLYSACCHARIDE L'OREAL (FR) 2024-10-16 EP disclosed
EP-4362906-A1 COMPOSITION COMPRISING SHEA, AN ALKYL(POLY)GLYCOSIDE, A POLYSACCHARIDE AND A DYE L'OREAL (FR) 2024-05-08 EP disclosed
EP-4362891-A1 COMPOSITION COMPRISING AT LEAST ONE PARTICULAR COUPLER, AT LEAST ONE PARTICULAR OXIDATION BASE, AT LEAST ONE FATTY SUBSTANCE AND AT LEAST ONE ANIONIC POLYSACCHARIDE L'OREAL (FR) 2024-05-08 EP disclosed
EP-4362890-A1 COMPOSITION COMPRISING AT LEAST ONE OXIDATION DYE, AT LEAST ONE ALKALINE AGENT AND AT LEAST ONE LIQUID FATTY ALCOHOL AND AT LEAST ONE SOLID FATTY ALCOHOL L'OREAL (FR) 2024-05-08 EP disclosed
CN-112055832-B Liquid crystal aligning agent and manufacturing method thereof, liquid crystal alignment film and manufacturing method thereof, and liquid crystal element JSR株式会社 2023-12-05 CN disclosed
WO-2023105022-A1 COMPOSITION COMPRISING TWO PARTICULAR OXIDATION DYE PRECURSORS AND A PARTICULAR AMINO SILICONE L'OREAL (FR) 2023-06-15 WO disclosed
WO-2023105015-A1 COMPOSITION COMPRISING A PARTICULAR OXIDATION DYE PRECURSOR, AN OXYALKYLENATED FATTY ALCOHOL AND A POLYSACCHARIDE L'OREAL (FR) 2023-06-15 WO disclosed
WO-2023105016-A1 COMPOSITION COMPRISING TWO PARTICULAR OXIDATION DYE PRECURSORS AND A PHOSPHORIC SURFACTANT L'OREAL (FR) 2023-06-15 WO disclosed
WO-2023105019-A1 COMPOSITION COMPRISING A PARTICULAR OXIDATION DYE PRECURSOR AND A PARTICULAR AMINO SILICONE L'OREAL (FR) 2023-06-15 WO disclosed
EP-2400946-A2 COMPOSITION CONTAINING A DYE AND 3-PHENYL-1-PROPANOL AND DYEING OF KERATIN FIBRES L'Oréal (FR) 2012-01-04 EP disclosed
EP-1234569-B1 COMPOSITIONS FOR DYEING KERATIN FIBRES LION CORP (JP) 2008-07-02 EP disclosed
WO-2007090765-A2 HIGH CAPACITY OPTICAL STORAGE MEDIA COMPRISING ORGANOMETALLIC ION PAIRS CIBA HOLDING INC. (CH) 2007-08-16 WO disclosed
US-6958080-B2 Compositions for dyeing keratinous fiber LION CORPORATION (JP) 2005-10-25 US disclosed
US-20030106166-A1 Compositions for dyeing keratinous fiber LION CORPORATION (JP) 2003-06-12 US disclosed
EP-1234569-A1 COMPOSITIONS FOR DYEING HORNY FIBERS Lion Corporation (JP) 2002-08-28 EP disclosed
EP-1165026-A1 OXIDATION DYEING METHOD USING N-ACETYLCYSTEINE AS A REDUCING AGENT AND LACCASE AS AN OXIDATING AGENT L'OREAL (FR) 2002-01-02 EP disclosed
WO-2000057848-A1 OXIDATION DYEING METHOD USING N-ACETYLCYSTEINE AS A REDUCING AGENT AND LACCASE AS AN OXIDATING AGENT L'OREAL (FR) 2000-10-05 WO disclosed
US-5534036-A Keratinous fiber dyeing methods and compositions which contain sulfated methaphenylenediamine couplers in combination with oxidation dye precursors L'OREAL (FR) 1996-07-09 US disclosed
EP-0286896-B1 AMINOPHENYL ALKYLENE DIAMINES AND THEIR USE IN OXIDATION HAIR DYEING AGENTS Henkel Kommanditgesellschaft auf Aktien (DE) 1992-09-02 EP 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 (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-20030106166-A1 Compositions for dyeing keratinous fiber KRT18, LPO, CKMT1A; CKMT1B APP 2048/4885MAPT 1133/4885GAA 745/4885

“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.