SCHEMBL1767113

SCHEMBL1767113

CN(C)Nc1ccc(N)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.46
CYP3A4 P08684 6/20 0.46
TDP1 Q9NUW8 6/20 0.46
MAPK1 P28482 5/20 0.46
ALOX15 P16050 4/20 0.46
TP53 P04637 3/20 0.46
MAPT P10636 6/20 0.42
L3MBTL1 Q9Y468 3/20 0.42
CYP2C19 P33261 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
ALOX12 P18054 1/20 0.42
HTT P42858 1/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
NR4A1 P22736 1/20 0.41
RAB9A P51151 2/20 0.41
RAD52 P43351 1/20 0.39
ACHE P22303 1/20 0.39
PKM P14618 2/20 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
SCHEMBL5692745 0.93 ALDH1A1 (0.50) ALDH1A1CYP3A4TDP1MAPK1ALOX15
SCHEMBL10949986 0.87 MAPT (0.56) ALDH1A1CYP3A4TDP1MAPK1ALOX15
SCHEMBL2409779 0.76 HPGD (0.46) ALDH1A1TDP1MAPK1MAPTHTT
Hydrochloric Acid SCHEMBL3186215 0.75 MEN1 (0.50) ALDH1A1CYP3A4TDP1MAPTMEN1
SCHEMBL29248009 0.74 ALDH1A1 (0.42) ALDH1A1CYP3A4TDP1MAPK1ALOX15
SCHEMBL6835310 0.74 ALDH1A1 (0.58) ALDH1A1CYP3A4TDP1MAPK1ALOX15
SCHEMBL20377494 0.74 KCNH3 (0.50) ALDH1A1MAPK1TP53MAPTL3MBTL1
SCHEMBL22047507 0.73 ALDH1A1 (0.64) ALDH1A1CYP3A4TDP1MAPK1ALOX15
SCHEMBL18973919 0.73 TDP1 (0.41) ALDH1A1CYP3A4TDP1ALOX15TP53
SCHEMBL8540385 0.73 ALDH1A1 (0.46) ALDH1A1CYP3A4TDP1MAPK1ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4099766-A None JP disclosed
JP-8325223-A None JP disclosed
US-9658234-B2 Method for analysis of compounds with amino group and analytical reagent therefor AJINOMOTO CO., INC. (JP) 2017-05-23 US disclosed
US-9598608-B2 Soluble, processable polyhemiaminals and polyhexahydrotriazines INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2017-03-21 US disclosed
US-9512332-B2 Soluble, processable polyhemiaminals and polyhexahydrotriazines INTERNATIONAL BUSUINESS MACHINES CORPORATION (US) 2016-12-06 US disclosed
US-20160139134-A1 METHOD FOR ANALYSIS OF COMPOUNDS WITH AMINO GROUP AND ANALYTICAL REAGENT THEREFOR AJINOMOTO CO., INC. (JP) 2016-05-19 US disclosed
US-9274123-B2 Method for analysis of compounds with amino group and analytical reagent therefor AJINOMOTO CO., INC. (JP) 2016-03-01 US disclosed
US-9238204-B2 Gas separation composite membrane and gas separating module, gas separation apparatus and gas separation method using the same FUJIFILM CORPORATION (JP) 2016-01-19 US disclosed
US-20150376442-A1 SOLUBLE, PROCESSABLE POLYHEMIAMINALS AND POLYHEXAHYDROTRIAZINES INTERNATIONAL BUSINESS MACHINES CORPORATION 2015-12-31 US disclosed
US-20150376451-A1 SOLUBLE, PROCESSABLE POLYHEMIAMINALS AND POLYHEXAHYDROTRIAZINES INTERNATIONAL BUSINESS MACHINES CORPORATION 2015-12-31 US disclosed
US-20060286673-A1 Method for analysis of compounds with amino group and analytical reagent therefor AJINOMOTO CO. INC (JP) 2006-12-21 US disclosed
US-7148069-B2 Method for analysis of compounds with amino group and analytical reagent therefor AJINOMOTO CO., INC. (JP) 2006-12-12 US disclosed
WO-2006042614-A1 CATIONIC AZACYANINE DYES AND COLORANTS CONTAINING THESE THE PROCTER & GAMBLE COMPANY (US) 2006-04-27 WO disclosed
US-6960685-B2 Carbamic acid compounds comprising an ether linkage as HDAC inhibitors TOPOTARGET UK LIMITED (GB) 2005-11-01 US disclosed
US-20050079624-A1 Method for analysis of compounds with amino group and analytical reagent therefor AJINOMOTO CO., INC (JP) 2005-04-14 US disclosed
US-20040259186-A1 Detection of oxidizing agents in urine ARMY, UNITED STATES 2004-12-23 US disclosed
EP-1475632-A1 METHOD OF ANALYZING AMINOFUNCTIONAL COMPOUND AND ANALYTICAL REAGENT Ajinomoto Co., Inc. (JP) 2004-11-10 EP disclosed
US-20040198830-A1 Carbamic acid compounds comprising an ether linkage as hdac inhibitors TOPOTARGET UK LIMITED (GB) 2004-10-07 US disclosed
JP-H08325223-A UREA DERIVATIVE, ITS PRODUCTION AND HEAT-SENSITIVE TYPE DIAZO RECORDING MATERIAL USING THE SAME RICOH CO LTD 1996-12-10 JP disclosed
JP-H0499766-A PRODUCTION OF INDOLE DERIVATIVE FUJI PHOTO FILM CO LTD 1992-03-31 JP 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 (4 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-20040198830-A1 Carbamic acid compounds comprising an ether linkage as hdac inhibitors HDAC1, HDAC11, HDAC3 ALDH1A1 843/4885CYP3A4 1341/4885TDP1 2011/4885
US-20160139134-A1 METHOD FOR ANALYSIS OF COMPOUNDS WITH AMINO GROUP AND ANALYTICAL REAGENT THEREFOR CTH, VIP, SLC7A11 ALDH1A1 2481/4885CYP3A4 863/4885TDP1 3887/4885
US-20050079624-A1 Method for analysis of compounds with amino group and analytical reagent therefor CTH, VIP, SLC7A11 ALDH1A1 2481/4885CYP3A4 863/4885TDP1 3887/4885
US-20060286673-A1 Method for analysis of compounds with amino group and analytical reagent therefor CTH, VIP, SLC7A11 ALDH1A1 2481/4885CYP3A4 863/4885TDP1 3887/4885

“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.