SCHEMBL2566482

SCHEMBL2566482

CN(c1ccc(F)cc1)c1ncc(C#N)cn1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.38
PTGS1 P23219 1/20 0.36
PTGS2 P35354 1/20 0.36
GRM5 P41594 3/20 0.36
KDM4E B2RXH2 4/20 0.36
GAA P10253 2/20 0.36
POLB P06746 1/20 0.36
NSD2 O96028 1/20 0.35
LMNA P02545 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MAPT P10636 1/20 0.35
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
TP53 P04637 1/20 0.34
CDC7 O00311 1/20 0.34
ABCG2 Q9UNQ0 1/20 0.33
MEN1 O00255 1/20 0.33

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
SCHEMBL31473441 0.81 ALDH1A1 (0.37) ALDH1A1GRM5KDM4EGAAPOLB
SCHEMBL27295964 0.81 ALDH1A1 (0.37) ALDH1A1GRM5KDM4EGAAPOLB
SCHEMBL20173613 0.78 KDM4E (0.48) ALDH1A1PTGS1KDM4ENSD2TP53
SCHEMBL2567211 0.77 PTGS1 (0.39) ALDH1A1PTGS1PTGS2KDM4EL3MBTL1
SCHEMBL4886159 0.76 KMT2A (0.44) ALDH1A1PTGS1PTGS2KDM4ELMNA
SCHEMBL29038976 0.76 ABCG2 (0.40) ALDH1A1KDM4EGAALMNAL3MBTL1
SCHEMBL2567160 0.73 ALDH1A1 (0.43) ALDH1A1PTGS1PTGS2GRM5L3MBTL1
SCHEMBL4304095 0.72 GRM5 (0.53) ALDH1A1GRM5KDM4EGAALMNA
SCHEMBL30468721 0.71 ABCG2 (0.48) ALDH1A1KDM4EGAALMNAABCG2
SCHEMBL17220458 0.69 MAPT (0.52) KDM4ELMNASMN1; SMN2MAPTTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2066659-B1 SUBSTITUTED SULFONAMIDE DERIVATIVES GRUENENTHAL GMBH (DE) 2013-08-28 EP disclosed
US-8435978-B2 Substituted sulfonamide compounds GRUENENTHAL GMBH (DE) 2013-05-07 US disclosed
US-8435978-B2 Substituted sulfonamide compounds GRUENENTHAL GMBH (DE) 2013-05-07 US disclosed
EP-2383267-A1 Substituted sulfonamide derivatives Grünenthal GmbH (DE) 2011-11-02 EP disclosed
US-20100324009-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2010-12-23 US disclosed
US-20100324009-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2010-12-23 US disclosed
US-20100324009-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2010-12-23 US disclosed
US-20100317644-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2010-12-16 US disclosed
US-20100317644-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2010-12-16 US disclosed
US-20100317644-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2010-12-16 US disclosed
CN-101553481-A Substituted sulfonamide derivatives GRUENENTHAL GMBH (DE) 2009-10-07 CN disclosed
EP-2066659-A1 SUBSTITUTED SULFONAMIDE DERIVATIVES Grünenthal GmbH (DE) 2009-06-10 EP disclosed
US-20080153843-A1 SUBSTITUTED SULFONAMIDE COMPOUNDS GRUENENTHAL GMBH (DE) 2008-06-26 US disclosed
US-20080153843-A1 SUBSTITUTED SULFONAMIDE COMPOUNDS GRUENENTHAL GMBH (DE) 2008-06-26 US disclosed
US-20080153843-A1 SUBSTITUTED SULFONAMIDE COMPOUNDS GRUENENTHAL GMBH (DE) 2008-06-26 US disclosed
WO-2008040492-A1 SUBSTITUTED SULFONAMIDE DERIVATIVES Grünenthal GmbH (DE) 2008-04-10 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 (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-20100317644-A1 Substituted Sulfonamide Compounds SULT2A1, STS, SULT1A1 ALDH1A1 1535/4885PTGS1 169/4885PTGS2 182/4885
US-20100324009-A1 Substituted Sulfonamide Compounds SULT2A1, STS, SULT1A1 ALDH1A1 1535/4885PTGS1 169/4885PTGS2 182/4885
US-20080153843-A1 SUBSTITUTED SULFONAMIDE COMPOUNDS SULT2A1, STS, SULT1A1 ALDH1A1 1535/4885PTGS1 169/4885PTGS2 182/4885

“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.