SCHEMBL4406536

SCHEMBL4406536

NCCNC(=O)Nc1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 5/20 0.62
KDM4E B2RXH2 1/20 0.62
HTT P42858 2/20 0.60
ALDH1A1 P00352 1/20 0.60
SMN1; SMN2 Q16637 4/20 0.59
TP53 P04637 2/20 0.59
TSHR P16473 1/20 0.59
EPHX2 P34913 1/20 0.59
CDK9 P50750 1/20 0.59
CLK4 Q9HAZ1 1/20 0.59
HDAC1 Q13547 1/20 0.57
HDAC8 Q9BY41 1/20 0.57
HDAC6 Q9UBN7 1/20 0.57
MEN1 O00255 2/20 0.55
POLB P06746 2/20 0.55
KMT2A Q03164 2/20 0.55
LMNA P02545 1/20 0.55
CA12 O43570 1/20 0.55
CA1 P00915 1/20 0.55
CA2 P00918 1/20 0.55

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 SCHEMBL326005 0.98 EPHX1 (0.60) EPHX1KDM4EHTTALDH1A1SMN1; SMN2
SCHEMBL10875851 0.89 EPHX1 (0.68) EPHX1KDM4EHTTALDH1A1SMN1; SMN2
SCHEMBL11051077 0.88 EPHX1 (0.70) EPHX1KDM4EHTTALDH1A1SMN1; SMN2
SCHEMBL11778644 0.86 EPHX1 (0.71) EPHX1KDM4EHTTALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL27907934 0.84 EPHX1 (0.69) EPHX1KDM4EHTTALDH1A1SMN1; SMN2
SCHEMBL27263594 0.84 EPHX1 (0.64) EPHX1KDM4EHTTALDH1A1SMN1; SMN2
SCHEMBL2446111 0.84 EPHX1 (0.77) EPHX1KDM4EHTTALDH1A1SMN1; SMN2
SCHEMBL11744013 0.83 RAB9A (0.64) EPHX1KDM4ESMN1; SMN2MEN1POLB
SCHEMBL321590 0.83 MAOA (0.53) EPHX1KDM4EALDH1A1SMN1; SMN2TP53
SCHEMBL325607 0.82 EPHX1 (0.64) EPHX1KDM4EHTTALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1971600-B1 ISOXAZOLE DERIVATIVES AND USE THEREOF SK BIOPHARMACEUTICALS CO LTD (KR) 2013-08-21 EP claimed
US-20090131336-A1 Isoxazole Derivatives and Use Thereof SK BIOPHARMACEUTICALS CO., LTD. (KR) 2009-05-21 US claimed
EP-1971600-A1 ISOXAZOLE DERIVATIVES AND USE THEREOF SK Holdings Co., Ltd. (KR) 2008-09-24 EP claimed
WO-2007078113-A1 ISOXAZOLE DERIVATIVES AND USE THEREOF SK HOLDINGS CO., LTD. (KR) 2007-07-12 WO claimed
EP-1971600-B1 ISOXAZOLE DERIVATIVES AND USE THEREOF SK BIOPHARMACEUTICALS CO LTD (KR) 2013-08-21 EP disclosed
EP-1539753-B1 PYRAZOLO(3,4-B)PYRIDINE COMPOUNDS, AND THEIR USE AS PHOSPHODIESTERASE INHIBITORS GLAXO GROUP LTD (GB) 2009-09-09 EP disclosed
US-20090131336-A1 Isoxazole Derivatives and Use Thereof SK BIOPHARMACEUTICALS CO., LTD. (KR) 2009-05-21 US disclosed
EP-1971600-A1 ISOXAZOLE DERIVATIVES AND USE THEREOF SK Holdings Co., Ltd. (KR) 2008-09-24 EP disclosed
US-20080175914-A1 Pyrazolo[3,4-b]Pyridine Compounds, and their Use as Phosphodiesterase Inhibitors GLAXO GROUP LIMITED 2008-07-24 US disclosed
US-20080175914-A1 Pyrazolo[3,4-b]Pyridine Compounds, and their Use as Phosphodiesterase Inhibitors GLAXO GROUP LIMITED 2008-07-24 US disclosed
WO-2007078113-A1 ISOXAZOLE DERIVATIVES AND USE THEREOF SK HOLDINGS CO., LTD. (KR) 2007-07-12 WO disclosed
EP-1664053-B1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AND METHODS OF USE AMGEN INC (US) 2007-01-24 EP disclosed
EP-0093765-A1 2-HYDROXYPROPYLAMINE ARYL ESTER DERIVATIVES. AMERICAN HOSPITAL SUPPLY CORP (US) 1983-11-16 EP disclosed
EP-0093155-A1 ESTERS OF ARYLOXYPROPANOLAMINE DERIVATIVES AND USE AS BETA-ADRENERGIC BLOCKING AGENTS. AMERICAN HOSPITAL SUPPLY CORP (US) 1983-11-09 EP disclosed
WO-1983001772-A1 ESTERS OF ARYLOXYPROPANOLAMINE DERIVATIVES AND USE AS 'beta'-ADRENERGIC BLOCKING AGENTS AMERICAN HOSPITAL SUPPLY CORP (US) 1983-05-26 WO disclosed
WO-1983001770-A1 2-HYDROXYPROPYLAMINE ARYL ESTER DERIVATIVES AMERICAN HOSPITAL SUPPLY CORP (US) 1983-05-26 WO disclosed
EP-0052072-A1 3-Aminopropoxyphenyl derivatives, their preparation and pharmaceutical compositions containing them SANDOZ AG (CH) 1982-05-19 EP disclosed
US-4131685-A ADRENERGIC BLOCKING AGENT, CARDIAC STIMULANT IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1978-12-26 US disclosed
US-4032638-A Heterocyclic ureas E. I. DU PONT DE NEMOURS AND COMPANY (US) 1977-06-28 US disclosed
US-3973946-A Substituted-3-phenyl ureas E. I. DUPONT DE NEMOURS & COMPANY (US) 1976-08-10 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 (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-20080175914-A1 Pyrazolo[3,4-b]Pyridine Compounds, and their Use as Phosphodiesterase Inhibitors PDE5A, PDE3B, PDE4A EPHX1 944/4885KDM4E 818/4885HTT 4837/4885
US-20090131336-A1 Isoxazole Derivatives and Use Thereof WNT3A, WNT1, WNT3 EPHX1 1628/4885KDM4E 4278/4885HTT 4168/4885

“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.