SCHEMBL423816

SCHEMBL423816

CCOC(=O)c1cnc(-c2ccc(Br)n2C(=O)OC(C)(C)C)s1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 1/20 0.50
DBF4 Q9UBU7 1/20 0.50
KDM4E B2RXH2 2/20 0.35
ADORA1 P30542 1/20 0.35
HDAC3 O15379 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
HCRTR2 O43614 1/20 0.35
IDO1 P14902 1/20 0.35
ALDH1A1 P00352 3/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
PTPN2 P17706 1/20 0.34
GLA P06280 1/20 0.34
ATM Q13315 1/20 0.34

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
SCHEMBL421515 0.83 P2RX3 (0.34) HDAC4MEN1KMT2ASMN1; SMN2
SCHEMBL423020 0.80 CDC7 (0.51) CDC7DBF4KDM4EADORA1HDAC3
SCHEMBL426571 0.75 GPR119 (0.43) ALDH1A1GPR119POLB
SCHEMBL425376 0.74 GLA (0.39) ADORA1IDO1MEN1KMT2AGLA
SCHEMBL1539569 0.71 CDC7 (0.60) CDC7DBF4KDM4EHDAC3HDAC4
SCHEMBL426274 0.70 MEN1 (0.41) MEN1KMT2ASMN1; SMN2ATMGPR119
SCHEMBL25362681 0.70 CDC7 (0.61) CDC7DBF4KDM4EHDAC3HDAC4
SCHEMBL298659 0.69 CDC7 (0.61) CDC7DBF4HDAC3HDAC4HDAC1
SCHEMBL23174287 0.69 L3MBTL1 (0.42) ADORA1MEN1KMT2ALMNAGLA
SCHEMBL421740 0.69 PAX8 (0.49) KDM4EALDH1A1MEN1KMT2ALMNA

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 CDC7 2574/4885DBF4 3235/4885KDM4E 2858/4885
US-20120022075-A1 NOVEL PHENYLPYRROLE DERIVATIVE GCKR, GCK, SLC5A1 CDC7 2574/4885DBF4 3235/4885KDM4E 2858/4885

“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.