SCHEMBL426787

SCHEMBL426787

CNS(=O)(=O)c1cnc(Br)cn1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.32
GAA P10253 1/20 0.32
CCR4 P51679 5/20 0.32
LMNA P02545 2/20 0.32
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA3 P07451 1/20 0.31
CA4 P22748 1/20 0.31
CA6 P23280 1/20 0.31
CA5A P35218 1/20 0.31
CA7 P43166 1/20 0.31
CA9 Q16790 1/20 0.31
CA13 Q8N1Q1 1/20 0.31
CA14 Q9ULX7 1/20 0.31
CA5B Q9Y2D0 1/20 0.31
PIK3C3 Q8NEB9 1/20 0.31
TNNI3K Q59H18 1/20 0.31
HTT P42858 1/20 0.31

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
SCHEMBL423474 0.77 CCR4 (0.31) EDNRACCR4
SCHEMBL1694513 0.74 ALDH1A1 (0.41) EDNRASMN1; SMN2GAACA1CA2
SCHEMBL16430696 0.73 PSIP1 (0.31) EDNRA
SCHEMBL2636770 0.72 POLB (0.33) LMNA
SCHEMBL27967561 0.69 SLC40A1 (0.46) EDNRASMN1; SMN2GAALMNACA12
SCHEMBL29497597 0.69 SLC40A1 (0.46) EDNRASMN1; SMN2GAALMNACA12
SCHEMBL30736100 0.68 MEN1 (0.36)
SCHEMBL8036071 0.68 GAA (0.50) EDNRASMN1; SMN2GAALMNACA12
SCHEMBL427939 0.67 CA12 (0.52) SMN1; SMN2LMNACA12CA1CA2
SCHEMBL21885785 0.67 HTR2A (0.39) SMN1; SMN2GAALMNACA12CA1

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-2239253-B1 NOVEL PHENYLPYRROLE DERIVATIVE DAIICHI SANKYO CO LTD (JP) 2013-06-19 EP disclosed
US-8415359-B2 Phenylpyrrole derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-04-09 US disclosed
US-20120022075-A1 NOVEL PHENYLPYRROLE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-01-26 US disclosed
US-8017610-B2 Phenylpyrrole derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-09-13 US disclosed
US-20110003787-A1 NOVEL PHENYLPYRROLE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-01-06 US disclosed
EP-2239253-A1 NOVEL PHENYLPYRROLE DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2010-10-13 EP 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-20110003787-A1 NOVEL PHENYLPYRROLE DERIVATIVE GCKR, GCK, SLC5A1 EDNRA 1477/4885SMN1; SMN2 3765/4885GAA 1402/4885
US-20120022075-A1 NOVEL PHENYLPYRROLE DERIVATIVE GCKR, GCK, SLC5A1 EDNRA 1477/4885SMN1; SMN2 3765/4885GAA 1402/4885

“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.