SCHEMBL426458

SCHEMBL426458

CNC(=O)c1cc[c]c(F)c1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 3/20 0.46
HDAC8 Q9BY41 2/20 0.46
HDAC2 Q92769 1/20 0.42
THRB P10828 1/20 0.41
PLAU P00749 1/20 0.41
HPGD P15428 1/20 0.40
TSHR P16473 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PLK1 P53350 6/20 0.39
GAA P10253 1/20 0.39
PDK2 Q15119 2/20 0.37
CA2 P00918 1/20 0.37
NQO2 P16083 1/20 0.36
MMP13 P45452 1/20 0.36
HDAC1 Q13547 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
SCHEMBL743658 0.79 HDAC8 (0.47) HDAC6HDAC8HDAC2THRBPLAU
SCHEMBL3391247 0.79 ALDH1A1 (0.41) HPGDSMN1; SMN2GAA
SCHEMBL1637722 0.78 HDAC8 (0.46) HDAC6HDAC8HDAC2THRBPLAU
SCHEMBL7986407 0.78
SCHEMBL422919 0.78 CA1 (0.47) HPGDTSHRHTTSMN1; SMN2GAA
SCHEMBL8961228 0.77 HDAC1 (0.32) HDAC6HDAC1
SCHEMBL26688582 0.76 PLK1 (0.50) HDAC6HDAC8HDAC2PLAUHPGD
SCHEMBL142939 0.76 TSHR (0.40) HPGDTSHRHTTGAACA2
SCHEMBL9901945 0.76 NPC1 (0.47) HPGDSMN1; SMN2
SCHEMBL425996 0.75 PARP1 (0.48) TSHRSMN1; SMN2

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 HDAC6 1274/4885HDAC8 1091/4885HDAC2 750/4885
US-20120022075-A1 NOVEL PHENYLPYRROLE DERIVATIVE GCKR, GCK, SLC5A1 HDAC6 1274/4885HDAC8 1091/4885HDAC2 750/4885

“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.