SCHEMBL6089983

SCHEMBL6089983

ClCc1cc(Cl)c2ccccc2n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.48
MAOA P21397 2/20 0.47
MAOB P27338 1/20 0.47
L3MBTL1 Q9Y468 3/20 0.39
KDM4E B2RXH2 5/20 0.39
ALDH1A1 P00352 4/20 0.39
TDP1 Q9NUW8 4/20 0.39
MAPT P10636 3/20 0.39
GLA P06280 2/20 0.39
MEN1 O00255 1/20 0.39
GAA P10253 1/20 0.39
MAPK1 P28482 1/20 0.39
CHRM2 P08172 1/20 0.38
ADRA2A P08913 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
CHRM1 P11229 1/20 0.38
HPGD P15428 1/20 0.38
NQO2 P16083 1/20 0.38
DRD1 P21728 1/20 0.38
ACHE P22303 1/20 0.38

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
SCHEMBL3564800 0.83 MAOA (0.45) KMT2AMAOAMAOBKDM4EALDH1A1
SCHEMBL29219366 0.83 ALDH1A1 (0.46) KMT2AMAOAMAOBL3MBTL1KDM4E
SCHEMBL18740731 0.83 MAOA (0.45) KMT2AMAOAMAOBKDM4EALDH1A1
SCHEMBL9315070 0.83 MAOA (0.45) KMT2AMAOAMAOBL3MBTL1KDM4E
SCHEMBL29518259 0.83 MAOA (0.45) KMT2AMAOAMAOBKDM4EALDH1A1
SCHEMBL3294354 0.82 KMT2A (0.50) KMT2AMAOAMAOBL3MBTL1KDM4E
SCHEMBL29219438 0.80 KCNH2 (0.48) MAOAMAOBKDM4EALDH1A1HPGD
SCHEMBL14352265 0.80 MAOA (0.42) KMT2AMAOAMAOBKDM4EALDH1A1
SCHEMBL14128989 0.80 KDM4E (0.60) KMT2AMAOAMAOBKDM4EALDH1A1
SCHEMBL397020 0.79 MAOA (0.54) KMT2AMAOAMAOBKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180222905-A1 NOVEL INHIBITOR COMPOUNDS OF PHOSPHODIESTERASE TYPE 10A AbbVie Deutschland GmbH & Co. KG (DE) 2018-08-09 US disclosed
US-9938269-B2 Inhibitor compounds of phosphodiesterase type 10A ABBVIE INC. (US) 2018-04-10 US disclosed
CN-103958504-B 10A type phosphodiesterase inhibitor compound 艾伯维德国有限责任两合公司 2016-10-12 CN disclosed
CN-103044391-B A kind of DPP-IV inhibitor efficiently GUANGZHOU INSTITUTES OF BIOMEDICINE AND HEALTH, CHINESE ACADEMY OF SCIENCES (CN) 2015-11-25 CN disclosed
CN-103044392-B A kind of preparation method of efficient DPP-IV inhibitor LIANYUNGANG RUNZHONG PHARMACEUTICAL CO.,LTD. (CN) 2015-10-14 CN disclosed
EP-2726479-A1 NOVEL INHIBITOR COMPOUNDS OF PHOSPHODIESTERASE TYPE 10A AbbVie Deutschland GmbH & Co KG (DE) 2014-05-07 EP disclosed
CN-103044392-A Preparation method of high-efficient DPP (dipeptidyl peptidase)-IV inhibitor LIANYUNGANG RUIZHONG PHARMACEUTICAL CO LTD 2013-04-17 CN disclosed
CN-103044391-A High-efficient DPP (dipeptidyl peptidase)-IV inhibitor GUANGZHOU INST BIOMED & HEALTH 2013-04-17 CN disclosed
WO-2013000994-A1 NOVEL INHIBITOR COMPOUNDS OF PHOSPHODIESTERASE TYPE 10A ABBOTT GMBH & CO. KG (DE) 2013-01-03 WO disclosed
US-7153865-B2 N-type calcium channel antagonists for the treatment of pain ASTRAZENECA AB (SE) 2006-12-26 US disclosed
US-7005440-B1 Therapeutic uses of tri-aryl acid derivatives AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2006-02-28 US disclosed
US-20050131020-A1 N-type calcium channel antagonists for the treatment of pain ASTRAZENECA AB (SE) 2005-06-16 US disclosed
EP-1430030-B1 N-TYPE CALCIUM CHANNEL ANTAGONISTS FOR THE TREATMENT OF PAIN ASTRAZENECA AB (SE) 2005-05-18 EP disclosed
CN-1183113-C Tri-aryl acid derivatives as PPAR receptor ligands ���ĵ�˹ҩ��¹����޹�˾ 2005-01-05 CN disclosed
EP-1430030-A1 N-TYPE CALCIUM CHANNEL ANTAGONISTS FOR THE TREATMENT OF PAIN AstraZeneca AB (SE) 2004-06-23 EP disclosed
WO-2003018561-A1 N-TYPE CALCIUM CHANNEL ANTAGONISTS FOR THE TREATMENT OF PAIN ASTRAZENECA AB (SE) 2003-03-06 WO disclosed
CN-1356983-A Tri-aryl acid derivatives as PPAR receptor ligands AVENTIS PHARM PROD INC (DE) 2002-07-03 CN disclosed
EP-1177176-A1 TRI-ARYL ACID DERIVATIVES AS PPAR RECEPTOR LIGANDS Aventis Pharma Deutschland GmbH (DE) 2002-02-06 EP disclosed
WO-2000064876-A1 TRI-ARYL ACID DERIVATIVES AS PPAR RECEPTOR LIGANDS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2000-11-02 WO 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 (2 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-20050131020-A1 N-type calcium channel antagonists for the treatment of pain CACNA1E, CACNA1B, CACNA1A KMT2A 4557/4885MAOA 2536/4885MAOB 1318/4885
US-20180222905-A1 NOVEL INHIBITOR COMPOUNDS OF PHOSPHODIESTERASE TYPE 10A PDE2A, PDE4A, PDE5A KMT2A 737/4885MAOA 27/4885MAOB 43/4885

“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.