SCHEMBL4253742

SCHEMBL4253742

O=S(=O)(O)C=Cc1cccnc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 5/20 0.58
RAB9A P51151 3/20 0.58
MAPT P10636 3/20 0.58
NPC1 O15118 2/20 0.58
KDM4E B2RXH2 2/20 0.58
JUN P05412 1/20 0.58
NFKB1 P19838 1/20 0.58
MAPK1 P28482 1/20 0.58
GPR55 Q9Y2T6 1/20 0.58
CYP11B1 P15538 1/20 0.55
CYP11B2 P19099 1/20 0.55
ALOX5 P09917 3/20 0.51
PTGS1 P23219 2/20 0.51
PTGS2 P35354 2/20 0.51
PFKFB3 Q16875 1/20 0.50
VCP P55072 1/20 0.50
NAPRT Q6XQN6 1/20 0.48
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
CYP1A1 P04798 1/20 0.47

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
SCHEMBL4253739 1.00 NFE2L2 (0.58) NFE2L2RAB9AMAPTNPC1KDM4E
Potassium Ion SCHEMBL29911106 0.84 NFE2L2 (0.56) NFE2L2RAB9AMAPTNPC1KDM4E
SCHEMBL4260836 0.81 NFE2L2 (0.58) NFE2L2RAB9AMAPTNPC1KDM4E
SCHEMBL15758243 0.81 NFE2L2 (0.62) NFE2L2RAB9AMAPTNPC1KDM4E
SCHEMBL15758245 0.81 NFE2L2 (0.62) NFE2L2RAB9AMAPTNPC1KDM4E
SCHEMBL24909548 0.81 NFE2L2 (0.58) NFE2L2RAB9AMAPTNPC1KDM4E
Pyridine SCHEMBL1254955 0.81 NFE2L2 (0.46) NFE2L2RAB9AMAPTNPC1KDM4E
SCHEMBL4260845 0.81 NFE2L2 (0.58) NFE2L2RAB9AMAPTNPC1KDM4E
SCHEMBL27429492 0.81 NAPRT (0.52) NFE2L2RAB9AMAPTNPC1KDM4E
Sulfuric Acid SCHEMBL6439972 0.80 RAB9A (0.56) NFE2L2RAB9AMAPTNPC1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160221994-A1 Substituted 2,3-Dihydrobenzofuranyl Compounds And Uses Thereof Karyopharm Therapeutics Inc. 2016-08-04 US disclosed
EP-1904471-B1 HETEROARYLETHENYL DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS HOFFMANN LA ROCHE (CH) 2009-10-21 EP disclosed
CN-101208325-A Heteroarylvinyl derivatives, their preparation and use as pharmaceutical agents HOFFMANN LA ROCHE (CH) 2008-06-25 CN disclosed
US-7208506-B2 Heteroarylethenyl derivatives, their manufacture and use as pharmaceutical agents HOFFMANN-LA ROCHE INC. (US) 2007-04-24 US disclosed
US-20070010564-A1 Heteroarylethenyl derivatives, their manufacture and use as pharmaceutical agents HOFFMANN-LA ROCHE INC. 2007-01-11 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-20070010564-A1 Heteroarylethenyl derivatives, their manufacture and use as pharmaceutical agents CYP3A43, CYP1A1, CYP3A5 NFE2L2 270/4885RAB9A 833/4885MAPT 4626/4885
US-20160221994-A1 Substituted 2,3-Dihydrobenzofuranyl Compounds And Uses Thereof BCL6, MALT1, BCL3 NFE2L2 784/4885RAB9A 1390/4885MAPT 3004/4885

“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.