SCHEMBL9733725

SCHEMBL9733725

CCN(CC)c1ccc(C=O)c(Cl)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 12/20 0.66
L3MBTL1 Q9Y468 3/20 0.66
ALDH1A3 P47895 2/20 0.53
ALDH3A1 P30838 1/20 0.53
MAPT P10636 8/20 0.50
KDM4E B2RXH2 7/20 0.50
KMT2A Q03164 5/20 0.50
MEN1 O00255 4/20 0.50
TDP1 Q9NUW8 4/20 0.50
HPGD P15428 4/20 0.50
NPSR1 Q6W5P4 1/20 0.50
BCHE P06276 1/20 0.47
ACHE P22303 1/20 0.47
TERT O14746 1/20 0.46
CYP3A4 P08684 2/20 0.45
CYP1A2 P05177 1/20 0.45
GLA P06280 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45

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
SCHEMBL28379902 0.83 ALDH1A1 (0.67) ALDH1A1L3MBTL1ALDH1A3ALDH3A1MAPT
SCHEMBL7678827 0.81 ALDH1A1 (0.65) ALDH1A1L3MBTL1ALDH1A3ALDH3A1MAPT
SCHEMBL9730719 0.81 TDP1 (0.48) ALDH1A1L3MBTL1ALDH1A3ALDH3A1MAPT
SCHEMBL15800618 0.80 ALDH1A1 (0.63) ALDH1A1L3MBTL1ALDH1A3ALDH3A1MAPT
SCHEMBL2845181 0.80 ALDH1A1 (0.63) ALDH1A1L3MBTL1ALDH1A3ALDH3A1MAPT
SCHEMBL29848301 0.79 TDP1 (0.55) ALDH1A1L3MBTL1MAPTKDM4ETDP1
SCHEMBL1002405 0.79 TDP1 (0.55) ALDH1A1L3MBTL1MAPTKDM4ETDP1
SCHEMBL2950989 0.79 ALDH1A1 (1.00) ALDH1A1L3MBTL1ALDH1A3ALDH3A1MAPT
SCHEMBL9361815 0.79 ALDH1A1 (0.70) ALDH1A1L3MBTL1ALDH1A3ALDH3A1MAPT
SCHEMBL56902 0.79 ALDH1A1 (0.61) ALDH1A1L3MBTL1ALDH1A3ALDH3A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2432776-B1 METHYL SULFANYL PYRIMIDINES USEFUL AS ANTIINFLAMMATORIES, ANALGESICS, AND ANTIEPILEPTICS UNIV LAVAL (CA) 2019-09-11 EP disclosed
US-9315521-B2 Pyrimidines as novel therapeutic agents UNIVERSITé LAVAL (CA) 2016-04-19 US disclosed
US-9315521-B2 Pyrimidines as novel therapeutic agents UNIVERSITé LAVAL (CA) 2016-04-19 US disclosed
US-20150225423-A1 PYRIMIDINES AS NOVEL THERAPEUTIC AGENTS UNIVERSITé LAVAL (CA) 2015-08-13 US disclosed
US-20150225423-A1 PYRIMIDINES AS NOVEL THERAPEUTIC AGENTS UNIVERSITé LAVAL (CA) 2015-08-13 US disclosed
US-9040538-B2 Pyrimidines as novel therapeutic agents UNIVERSITE LAVAL (CA) 2015-05-26 US disclosed
US-9040538-B2 Pyrimidines as novel therapeutic agents UNIVERSITE LAVAL (CA) 2015-05-26 US disclosed
US-20100298336-A1 PYRIMIDINES AS NOVEL THERAPEUTIC AGENTS UNIVERSITE LAVAL (CA) 2010-11-25 US disclosed
US-20100298336-A1 PYRIMIDINES AS NOVEL THERAPEUTIC AGENTS UNIVERSITE LAVAL (CA) 2010-11-25 US disclosed
WO-2010132999-A1 METHYL SULFANYL PYRMIDMES USEFUL AS ANTIINFLAMMATORIES, ANALGESICS, AND ANTIEPILEPTICS CHLORION PHARMA, INC. (CA) 2010-11-25 WO disclosed
US-20090029050-A1 ARYLIDENEPYRAZOLONE DYE, HEAT-SENSITIVE TRANSFER RECORDING INK SHEET AND HEAT-SENSITIVE TRANSFER RECORDING METHOD FUJIFILM CORPORATION (JP) 2009-01-29 US disclosed
US-20090029050-A1 ARYLIDENEPYRAZOLONE DYE, HEAT-SENSITIVE TRANSFER RECORDING INK SHEET AND HEAT-SENSITIVE TRANSFER RECORDING METHOD FUJIFILM CORPORATION (JP) 2009-01-29 US disclosed
US-5091501-A Process for preparing 2H-1-benzopyran-2-ones and polyesters containing 2H-1-benzopyran-2-one residues EASTMAN KODAK COMPANY (US) 1992-02-25 US disclosed
EP-0074569-B1 CATIONIC METHINE DYES, PROCESS FOR THEIR PREPARATION AND THEIR USE, IN DYEING TEXTILE MATERIALS AND OTHER SUBSTRATES BAYER AG (DE) 1985-06-19 EP disclosed
US-4513142-A Preparation of cationic methine dyestuffs BAYER AKTIENGESELLSCHAFT (DE) 1985-04-23 US disclosed
EP-0074569-A2 Cationic methine dyes, process for their preparation and their use, in dyeing textile materials and other substrates BAYER AG (DE) 1983-03-23 EP disclosed
US-4110070-A QUATERNIZING INDOLENINE METHINE COMPOUND ON FIBERS TO FORM CATIONIC DYE HODOGAYA CHEMICAL CO., LTD. (JP) 1978-08-29 US disclosed
US-4002616-A POLYESTERS E. I. DU PONT DE NEMOURS AND COMPANY (US) 1977-01-11 US disclosed
US-3962220-A ONE-STEP, AROMATIC ALDEHYDES, ACETIC ACID E. I. DU PONT DE NEMOURS AND COMPANY (US) 1976-06-08 US disclosed
US-3962221-A CONDENSATION, REDUCTION, OXIDATION E. I. DU PONT DE NEMOURS AND COMPANY (US) 1976-06-08 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-20100298336-A1 PYRIMIDINES AS NOVEL THERAPEUTIC AGENTS TYMS, P2RX2, TYMP ALDH1A1 577/4885L3MBTL1 4706/4885ALDH1A3 2880/4885
US-20090029050-A1 ARYLIDENEPYRAZOLONE DYE, HEAT-SENSITIVE TRANSFER RECORDING INK SHEET AND HEAT-SENSITIVE TRANSFER RECORDING METHOD KCNH3, KCNH2, IK ALDH1A1 44/4885L3MBTL1 868/4885ALDH1A3 185/4885
US-20150225423-A1 PYRIMIDINES AS NOVEL THERAPEUTIC AGENTS TYMS, P2RX2, TYMP ALDH1A1 577/4885L3MBTL1 4706/4885ALDH1A3 2880/4885

“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.