SCHEMBL2771019

SCHEMBL2771019

CC(=O)c1cc(C)cc(C)c1N

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.70
ALDH1A1 P00352 6/20 0.40
LMNA P02545 2/20 0.40
MAPT P10636 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
GAA P10253 1/20 0.40
F2 P00734 1/20 0.37
PRSS1 P07477 1/20 0.37
PRSS2 P07478 1/20 0.37
PRSS3 P35030 1/20 0.37
TSHR P16473 2/20 0.37
TP53 P04637 1/20 0.37
CYP3A4 P08684 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
MMP1 P03956 1/20 0.36
MMP2 P08253 1/20 0.36
MMP9 P14780 1/20 0.36
MMP8 P22894 1/20 0.36

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
SCHEMBL2060597 0.83 KDM4E (0.70) KDM4EALDH1A1LMNAMAPTGAA
SCHEMBL108376 0.83 KDM4E (1.00) KDM4EALDH1A1LMNAMAPTGAA
SCHEMBL29502911 0.83 KDM4E (1.00) KDM4EALDH1A1LMNAMAPTGAA
SCHEMBL34463681 0.81 KDM4E (0.68) KDM4EALDH1A1LMNAMAPTGAA
SCHEMBL20670887 0.81 KDM4E (0.47) KDM4EALDH1A1SMN1; SMN2F2TSHR
SCHEMBL15214028 0.81 KDM4E (0.47) KDM4EALDH1A1LMNASMN1; SMN2TSHR
SCHEMBL12934033 0.80 KDM4E (0.47) KDM4ESMN1; SMN2
SCHEMBL25360449 0.79 KDM4E (0.46) KDM4EALDH1A1MAPTSMN1; SMN2GAA
SCHEMBL20670573 0.79 KDM4E (0.46) KDM4EALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL31481672 0.79 KDM4E (0.46) KDM4EALDH1A1MAPTSMN1; SMN2GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9169198-B2 Method for the production of 2-amino-5-cyano-N,3-dimethylbenzamide BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-10-27 US disclosed
US-20140148611-A1 METHOD FOR THE PRODUCTION OF 2-AMINO-5-CYANO-N,3-DIMETHYLBENZAMIDE BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-05-29 US disclosed
US-8420821-B2 Process for production of 4-oxoquinoline compound JAPAN TOBACCO INC. (JP) 2013-04-16 US disclosed
US-8383819-B2 Method for producing 4-oxoquinoline compound JAPAN TOBACCO INC. (JP) 2013-02-26 US disclosed
US-7863308-B2 Substituted thiophenes AUSPEX PHARMACEUTICALS, INC. (US) 2011-01-04 US disclosed
US-20100280086-A1 SUBSTITUTED THIOPHENES AUSPEX PHARMACEUTICALS, INC. (US) 2010-11-04 US disclosed
US-20100240904-A1 PROCESSES FOR THE PREPARATION OF N-(2-ACETYL-4,6-DIMETHYLPHENYL)-3--2-THIOPHENECARBOXAMIDE PFIZER INC 2010-09-23 US disclosed
US-20100240904-A1 PROCESSES FOR THE PREPARATION OF N-(2-ACETYL-4,6-DIMETHYLPHENYL)-3--2-THIOPHENECARBOXAMIDE PFIZER INC 2010-09-23 US disclosed
US-7754892-B2 Processes for the preparation of N-(2-acetyl-4,6-dimethylphenyl)-3-{[(3,4 dimethyl-5-isoxazolyl)amino]sulfonyl}-2-thiophenecarboxamide ENCYSIVE PHARMACEUTICALS, INC. (US) 2010-07-13 US disclosed
US-7754892-B2 Processes for the preparation of N-(2-acetyl-4,6-dimethylphenyl)-3-{[(3,4 dimethyl-5-isoxazolyl)amino]sulfonyl}-2-thiophenecarboxamide ENCYSIVE PHARMACEUTICALS, INC. (US) 2010-07-13 US disclosed
US-6683103-B2 SULFONAMIDES CONTAINING OXAZOLE AND SUBSTITUTED THIOPHENE RINGS, USEFUL FOR TREATING HYPERTENSION, CARDIOVASCULAR DISEASE, ASTHMA, PULMONARY HYPERTENSION, INFLAMMATORY DISEASES, VISION DEFECTS, MENSTRUAL DISORDERS, RENAL FAILURE TEXAS BIOTECHNOLOGY CORPORATION 2004-01-27 US disclosed
CN-1414965-A Sulfonamides and derivatives thereof that modulate the activeity of endothelin TEXAS BIOTECHNOLOGY CORP (US) 2003-04-30 CN disclosed
EP-1244657-A2 SULFONAMIDES AND DERIVATIVES THEREOF THAT MODULATE THE ACTIVITY OF ENDOTHELIN TEXAS BIOTECHNOLOGY CORPORATION (US) 2002-10-02 EP disclosed
US-6432994-B1 CARDIOVASCULAR DISORDERS, GLAUCOMA; ANTIINFLAMMATORY, WOUND HEALING, HYPOTENSIVE, ANTIASTHMATIC, AND ANTIANAPHYLACTIC AGENTS TEXAS BIOTECHNOLOGY CORPORATION 2002-08-13 US disclosed
US-20020091270-A1 Sulfonamides for treatment of endothelin-mediated disorders ENCYSIVE PHARMACEUTICALS INC. 2002-07-11 US disclosed
US-20010056183-A1 Sulfonamides and derivatives thereof that modulate the activity of endothelin TEXAS BIOTECHNOLOGY CORPORATION 2001-12-27 US disclosed
WO-2001049685-A2 SULFONAMIDES AND DERIVATIVES THEREOF THAT MODULATE THE ACTIVITY OF ENDOTHELIN TEXAS BIOTECHNOLOGY CORPORATION (US) 2001-07-12 WO disclosed
WO-2001049289-A1 PHARMACEUTICAL AND VETERINARY USES OF ENDOTHELIN ANTAGONISTS TEXAS BIOTECHNOLOGY CORPORATION (US) 2001-07-12 WO disclosed
EP-0980369-A1 SULFONAMIDES FOR TREATMENT OF ENDOTHELIN-MEDIATED DISORDERS TEXAS BIOTECHNOLOGY CORPORATION (US) 2000-02-23 EP disclosed
WO-1998049162-A1 SULFONAMIDES FOR TREATMENT OF ENDOTHELIN-MEDIATED DISORDERS TEXAS BIOTECHNOLOGY CORPORATION (US) 1998-11-05 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 (5 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-20140148611-A1 METHOD FOR THE PRODUCTION OF 2-AMINO-5-CYANO-N,3-DIMETHYLBENZAMIDE ALKBH5, ALKBH2, MMAB KDM4E 124/4885ALDH1A1 1505/4885LMNA 1696/4885
US-20020091270-A1 Sulfonamides for treatment of endothelin-mediated disorders EDNRA, ECE1, EDNRB KDM4E 1188/4885ALDH1A1 4657/4885LMNA 1866/4885
US-20100280086-A1 SUBSTITUTED THIOPHENES EDNRB, ECE1, EDNRA KDM4E 1620/4885ALDH1A1 1056/4885LMNA 3120/4885
US-20010056183-A1 Sulfonamides and derivatives thereof that modulate the activity of endothelin EDNRA, EDNRB, ECE1 KDM4E 2262/4885ALDH1A1 4647/4885LMNA 3671/4885
US-20100240904-A1 PROCESSES FOR THE PREPARATION OF N-(2-ACETYL-4,6-DIMETHYLPHENYL)-3--2-THIOPHENECARBOXAMIDE EDNRB, EDNRA, ECE2 KDM4E 722/4885ALDH1A1 3714/4885LMNA 1460/4885

“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.