SCHEMBL424044

SCHEMBL424044

COC(=O)c1ccc(-c2ccc(Br)n2C(=O)OC(C)(C)C)nc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.42
KDM4E B2RXH2 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
SPR P35270 1/20 0.39
RAB9A P51151 2/20 0.38
NPC1 O15118 1/20 0.38
KMT2A Q03164 1/20 0.38
HPGDS O60760 1/20 0.38
GPR119 Q8TDV5 3/20 0.37
PKM P14618 1/20 0.36
UCHL1 P09936 1/20 0.36
USP30 Q70CQ3 1/20 0.36
HDAC1 Q13547 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
MAPT P10636 2/20 0.35
FAAH O00519 1/20 0.35
GABRG2 P18507 1/20 0.34
GABRB3 P28472 1/20 0.34
GABRA5 P31644 1/20 0.34
TP53 P04637 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
SCHEMBL426274 0.78 MEN1 (0.41) KMT2AGPR119UCHL1USP30MAPT
SCHEMBL422690 0.78 HSP90AA1 (0.50) MAPK1KDM4EL3MBTL1SPRRAB9A
SCHEMBL3307205 0.76 NR1H2 (0.49) L3MBTL1HPGDS
SCHEMBL29043852 0.73 ROCK2 (0.43) MAPK1KDM4EL3MBTL1SPRRAB9A
SCHEMBL30097457 0.72 GRM1 (0.53)
SCHEMBL15961880 0.72 GRM1 (0.53)
SCHEMBL424632 0.72 BCHE (0.42) RAB9ANPC1KMT2AGPR119UCHL1
SCHEMBL29651074 0.72 MAPK1 (0.69) MAPK1KDM4EL3MBTL1SPRRAB9A
SCHEMBL29651058 0.72 MAPK1 (0.69) MAPK1KDM4EL3MBTL1SPRRAB9A
SCHEMBL70712 0.72 MAPK1 (0.69) MAPK1KDM4EL3MBTL1SPRRAB9A

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 MAPK1 162/4885KDM4E 2858/4885L3MBTL1 3855/4885
US-20120022075-A1 NOVEL PHENYLPYRROLE DERIVATIVE GCKR, GCK, SLC5A1 MAPK1 162/4885KDM4E 2858/4885L3MBTL1 3855/4885

“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.