SCHEMBL12218499

SCHEMBL12218499

CCCN(CCC)c1ccc(/C=C2\SC(=S)NC2=O)cc1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHBP P24387 3/20 0.81
CRHR2 Q13324 3/20 0.81
GSK3B P49841 1/20 0.72
MYC P01106 3/20 0.65
MAX P61244 3/20 0.65
NPC1 O15118 1/20 0.65
RAB9A P51151 1/20 0.65
MEN1 O00255 1/20 0.62
POLB P06746 1/20 0.62
KMT2A Q03164 1/20 0.62
GPR35 Q9HC97 1/20 0.62
NAT1 P18440 5/20 0.58
CISD1 Q9NZ45 2/20 0.58
CSNK2A2 P19784 1/20 0.58
CLK1 P49759 1/20 0.58
CSNK2B P67870 1/20 0.58
CSNK2A1 P68400 1/20 0.58
DYRK1A Q13627 1/20 0.58
DYRK1B Q9Y463 1/20 0.58
CA2 P00918 1/20 0.57

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
SCHEMBL194498 0.89 CRHBP (1.00) CRHBPCRHR2GSK3BMYCMAX
SCHEMBL194499 0.89 CRHBP (1.00) CRHBPCRHR2GSK3BMYCMAX
SCHEMBL1249353 0.89 CRHBP (1.00) CRHBPCRHR2GSK3BMYCMAX
SCHEMBL14891688 0.85 CRHBP (0.90) CRHBPCRHR2GSK3BMYCMAX
SCHEMBL14891689 0.85 CRHBP (0.90) CRHBPCRHR2GSK3BMYCMAX
SCHEMBL194557 0.82 CRHBP (1.00) CRHBPCRHR2MYCMAXNPC1
SCHEMBL194558 0.82 CRHBP (1.00) CRHBPCRHR2MYCMAXNPC1
SCHEMBL1249935 0.82 CRHBP (1.00) CRHBPCRHR2MYCMAXNPC1
SCHEMBL24992356 0.81 CRHBP (0.71) CRHBPCRHR2GSK3BMYCMAX
SCHEMBL8173568 0.80 NAT1 (0.75) CRHBPCRHR2GSK3BMYCMAX

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110257146-A1 Method of Treating Kcnq Related Disorders Using Organozinc Compounds THE JOHNS HOPKINS UNIVERSITY (US) 2011-10-20 US disclosed
US-20110257146-A1 Method of Treating Kcnq Related Disorders Using Organozinc Compounds THE JOHNS HOPKINS UNIVERSITY (US) 2011-10-20 US disclosed
WO-2007087424-A2 METHOD OF TREATING KCNQ RELATED DISORDERS USING ORGANOZINC COMPOUNDS THE JOHNS HOPKINS UNIVERSITY (US) 2007-08-02 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 (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-20110257146-A1 Method of Treating Kcnq Related Disorders Using Organozinc Compounds KCNQ3, KCNQ1, KCNQ5 CRHBP 4235/4885CRHR2 3191/4885GSK3B 2446/4885

“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.