SCHEMBL2233697

SCHEMBL2233697

CCCCCCC#Cc1c(Cl)c(C#CCCCCCC)c(Cl)c(C#CCCCCCC)c1Cl

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.46
PTPN7 P35236 4/20 0.39
HMGCR P04035 2/20 0.39
GPR84 Q9NQS5 1/20 0.39
FFAR1 O14842 1/20 0.38
FFAR4 Q5NUL3 1/20 0.38
MMP2 P08253 1/20 0.37
MMP12 P39900 1/20 0.37
RECQL P46063 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
TSHR P16473 1/20 0.35
THRB P10828 1/20 0.35

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
SCHEMBL16424871 1.00 KCNH2 (0.46) KCNH2PTPN7HMGCRGPR84FFAR1
SCHEMBL30770107 0.75 KCNH2 (0.51) KCNH2PTPN7HMGCRGPR84FFAR1
SCHEMBL9374800 0.72 PTPN7 (0.61) KCNH2PTPN7HMGCRRECQLTDP1
SCHEMBL1523678 0.72 PTPN7 (0.61) KCNH2PTPN7HMGCRRECQLTDP1
SCHEMBL513302 0.72 PTPN7 (0.61) KCNH2PTPN7HMGCRRECQLTDP1
SCHEMBL23040316 0.72 PTPN7 (0.61) KCNH2PTPN7HMGCRRECQLTDP1
SCHEMBL11175213 0.72 PTPN7 (0.61) KCNH2PTPN7HMGCRRECQLTDP1
SCHEMBL11066113 0.72 PTPN7 (0.61) KCNH2PTPN7HMGCRRECQLTDP1
SCHEMBL10796010 0.72 PTPN7 (0.61) KCNH2PTPN7HMGCRRECQLTDP1
SCHEMBL9211891 0.72 PTPN7 (0.61) KCNH2PTPN7HMGCRRECQLTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2361915-B1 NOVEL HETEROCYCLIC COMPOUND AND USE THEREOF NIPPON KAYAKU KK (JP) 2015-01-28 EP disclosed
US-8313671-B2 Heterocyclic compound and use thereof HIROSHIMA UNIVERSITY (JP) 2012-11-20 US disclosed
US-8313671-B2 Heterocyclic compound and use thereof HIROSHIMA UNIVERSITY (JP) 2012-11-20 US disclosed
EP-2361915-A1 NOVEL HETEROCYCLIC COMPOUND AND USE THEREOF Hiroshima University (JP) 2011-08-31 EP disclosed
US-20110204295-A1 Novel Heterocyclic Compound And Use Thereof HIROSHIMA UNIVERSITY (JP) 2011-08-25 US disclosed
US-20110204295-A1 Novel Heterocyclic Compound And Use Thereof HIROSHIMA UNIVERSITY (JP) 2011-08-25 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 (1 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-20110204295-A1 Novel Heterocyclic Compound And Use Thereof SCLY, C9, C1S KCNH2 1369/4885PTPN7 2548/4885HMGCR 1900/4885

“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.