SCHEMBL14051928

SCHEMBL14051928

CCCCOCCCCCNC

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.64
MEN1 O00255 1/20 0.46
THRB P10828 1/20 0.46
HTT P42858 1/20 0.46
KMT2A Q03164 1/20 0.46
MAPT P10636 1/20 0.46
TSHR P16473 2/20 0.46
EPHX2 P34913 1/20 0.41
CYP3A4 P08684 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.39
CES2 O00748 1/20 0.39
HPGD P15428 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
SIGMAR1 Q99720 1/20 0.38
PLA2G2C Q5R387 1/20 0.37
S1PR2 O95136 2/20 0.36
S1PR4 O95977 2/20 0.36
S1PR1 P21453 2/20 0.36
S1PR3 Q99500 2/20 0.36
ALDH1A1 P00352 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
SCHEMBL23342876 1.00 EPHX1 (0.64) EPHX1MEN1THRBHTTKMT2A
SCHEMBL722968 0.95 EPHX1 (0.71) EPHX1MEN1THRBHTTKMT2A
SCHEMBL20548046 0.95 EPHX1 (0.71) EPHX1MEN1THRBHTTKMT2A
SCHEMBL15279667 0.95 EPHX1 (0.71) EPHX1MEN1THRBHTTKMT2A
SCHEMBL22296973 0.95 EPHX1 (0.71) EPHX1MEN1THRBHTTKMT2A
SCHEMBL8979926 0.93 EPHX1 (0.67) EPHX1MEN1THRBHTTKMT2A
SCHEMBL15510919 0.91 EPHX1 (0.64) EPHX1MEN1THRBHTTKMT2A
SCHEMBL15511002 0.91 EPHX1 (0.64) EPHX1MEN1THRBHTTKMT2A
SCHEMBL8979942 0.91 EPHX1 (0.64) EPHX1MEN1THRBHTTKMT2A
SCHEMBL17888018 0.91 EPHX1 (0.56) EPHX1MEN1THRBHTTKMT2A

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
EP-3562823-B1 FUNCTIONALIZED NANOLUC INHIBITORS PROMEGA CORP (US) 2023-02-08 EP disclosed
US-9850276-B2 Bidentate-binding modulators of LRRK2 and JNK kinases THE SCRIPPS RESEARCH INSTITUTE (US) 2017-12-26 US disclosed
US-20160185818-A1 BIDENTATE-BINDING MODULATORS OF LRRK2 AND JNK KINASES UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED 2016-06-30 US disclosed
US-8580965-B2 Substituted sulfonamide compounds GRUENENTHAL GMBH (DE) 2013-11-12 US disclosed
US-20080249128-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2008-10-09 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-20160185818-A1 BIDENTATE-BINDING MODULATORS OF LRRK2 AND JNK KINASES LRRK2, PINK1, MAP2K3 EPHX1 4199/4885MEN1 3813/4885THRB 1964/4885
US-20080249128-A1 Substituted Sulfonamide Compounds BDKRB1, BDKRB2, NPSR1 EPHX1 707/4885MEN1 1340/4885THRB 742/4885

“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.