SCHEMBL687634

SCHEMBL687634

Cc1cc(C)c(N)c(O)c1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.43
TSHR P16473 4/20 0.43
CYP3A4 P08684 2/20 0.43
TP53 P04637 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
GAA P10253 3/20 0.41
KDM4E B2RXH2 3/20 0.41
MAPT P10636 2/20 0.41
LMNA P02545 2/20 0.41
MAPK1 P28482 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
POLB P06746 2/20 0.37
CASP1 P29466 1/20 0.36
PDE10A Q9Y233 1/20 0.36
PKM P14618 1/20 0.35
HTT P42858 2/20 0.35
NPC1 O15118 1/20 0.35
MITF O75030 1/20 0.35
AGTR1 P30556 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
SCHEMBL69583 0.82 ALDH1A1 (0.48) ALDH1A1TSHRCYP3A4TP53TDP1
SCHEMBL15485452 0.80 ALDH1A1 (0.47) ALDH1A1CYP3A4TP53TDP1GAA
SCHEMBL204468 0.80 ALDH1A1 (0.47) ALDH1A1CYP3A4TP53TDP1GAA
SCHEMBL11085769 0.79 ALDH1A1 (0.46) ALDH1A1TSHRCYP3A4TP53TDP1
SCHEMBL5848639 0.79 ALDH1A1 (0.46) ALDH1A1TSHRCYP3A4TP53TDP1
SCHEMBL28040473 0.77 ALDH1A1 (0.45) ALDH1A1CYP3A4TP53TDP1GAA
SCHEMBL27408439 0.75 CYP3A4 (0.43) ALDH1A1CYP3A4TDP1GAAMAPT
SCHEMBL2131880 0.75 ALDH1A1 (0.50) ALDH1A1TSHRCYP3A4TP53TDP1
SCHEMBL394882 0.75 ALDH1A1 (0.50) ALDH1A1TSHRCYP3A4TP53TDP1
SCHEMBL29738345 0.75 ALDH1A1 (0.50) ALDH1A1TSHRCYP3A4TP53TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024127363-A1 TYK2 PSEUDOKINASE LIGANDS AND USES THEREOF ALEMBIC PHARMACEUTICALS LIMITED (IN) 2024-06-20 WO disclosed
US-9957241-B2 Aromatic diamine, an intermediate therefor, a method for producing the aromatic diamine, and a method for producing the intermediate therefor SEIKA CORPORATION (JP) 2018-05-01 US disclosed
US-20180079732-A1 AROMATIC DIAMINE, AN INTERMEDIATE THEREFOR, A METHOD FOR PRODUCING THE AROMATIC DIAMINE, AND A METHOD FOR PRODUCING THE INTERMEDIATE THEREFOR SEIKA CORPORATION (JP) 2018-03-22 US disclosed
CN-107531652-A Aromatic diamine, intermediate thereof, and processes for producing these 精化株式会社 2018-01-02 CN disclosed
US-20160194279-A1 ONE POT PROCESS FOR THE CONVERSION OF AROYL CHLORIDES TO ACYL THIOUREAS COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2016-07-07 US disclosed
US-20160194279-A1 ONE POT PROCESS FOR THE CONVERSION OF AROYL CHLORIDES TO ACYL THIOUREAS COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2016-07-07 US disclosed
US-20160194279-A1 ONE POT PROCESS FOR THE CONVERSION OF AROYL CHLORIDES TO ACYL THIOUREAS COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2016-07-07 US disclosed
WO-2014087431-A1 ONE POT PROCESS FOR THE CONVERSION OF AROYL CHLORIDES TO ACYL THIOUREAS COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2014-06-12 WO disclosed
WO-2014087431-A1 ONE POT PROCESS FOR THE CONVERSION OF AROYL CHLORIDES TO ACYL THIOUREAS COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2014-06-12 WO disclosed
EP-1637122-B1 2-(Amino or substituted Amino)-3-5-6-substituted Phenol compounds, dyeing compositions containing them, and use thereof PROCTER & GAMBLE (US) 2012-02-29 EP disclosed
US-7338537-B2 2-(amino or substituted amino)-3-5-6-substituted phenol compounds, dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2008-03-04 US disclosed
US-7338537-B2 2-(amino or substituted amino)-3-5-6-substituted phenol compounds, dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2008-03-04 US disclosed
US-7338537-B2 2-(amino or substituted amino)-3-5-6-substituted phenol compounds, dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2008-03-04 US disclosed
CN-101005820-A 2-(amino or substituted amino)-3-5-6-substituted phenol compounds, dyeing compositions containing them, and use thereof PROCTER & GAMBLE (US) 2007-07-25 CN disclosed
EP-1637122-A1 2-(Amino or substituted Amino)-3-5-6-substituted Phenol compounds, dyeing compositions containing them, and use thereof The Procter & Gamble Company (US) 2006-03-22 EP disclosed
WO-2006023438-A1 2-(AMINO OR SUBSTITUTED AMINO)-3-5-6-SUBSTITUTED PHENOL COMPOUNDS, DYEING COMPOSITIONS CONTAINING THEM, AND USE THEREOF THE PROCTER & GAMBLE COMPANY (US) 2006-03-02 WO disclosed
US-20060032000-A1 2-(Amino or substituted amino)-3-5-6-substituted phenol compounds, dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY 2006-02-16 US 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-20160194279-A1 ONE POT PROCESS FOR THE CONVERSION OF AROYL CHLORIDES TO ACYL THIOUREAS TRRAP, NAT1, AHR ALDH1A1 445/4885TSHR 39/4885CYP3A4 167/4885
US-20060032000-A1 2-(Amino or substituted amino)-3-5-6-substituted phenol compounds, dyeing compositions containing them, and use thereof KRT18, S100A6, S100A4 ALDH1A1 459/4885TSHR 4867/4885CYP3A4 1922/4885
US-20180079732-A1 AROMATIC DIAMINE, AN INTERMEDIATE THEREFOR, A METHOD FOR PRODUCING THE AROMATIC DIAMINE, AND A METHOD FOR PRODUCING THE INTERMEDIATE THEREFOR WEE1, WEE2, WASF2 ALDH1A1 544/4885TSHR 4030/4885CYP3A4 933/4885

“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.