SCHEMBL422780

SCHEMBL422780

O=C(c1cn[c]c(Cl)c1)N1CCC1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HPGD P15428 7/20 0.45
HSD11B1 P28845 1/20 0.44
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 1/20 0.41
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
LMNA P02545 1/20 0.41
CNR1 P21554 1/20 0.39
GRM5 P41594 3/20 0.39
POLB P06746 1/20 0.38
TSHR P16473 1/20 0.38

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
SCHEMBL3719013 0.97 HPGD (0.49) HPGDHSD11B1ALDH1A1KDM4EKMT2A
SCHEMBL3717205 0.73 HCAR2 (0.48) ALDH1A1KDM4EKMT2AMEN1LMNA
SCHEMBL423467 0.72 KMT2A (0.59) HPGDHSD11B1KDM4EKMT2AMEN1
SCHEMBL23387941 0.72 HPGD (0.55) HPGDHSD11B1ALDH1A1KDM4EKMT2A
SCHEMBL4926896 0.72 CA5A (0.35) KMT2AMEN1SMN1; SMN2LMNA
SCHEMBL1035373 0.72 NNMT (0.39) SMN1; SMN2LMNAPOLBTSHR
SCHEMBL23388092 0.70 HPGD (0.48) HPGDALDH1A1KDM4EKMT2AMEN1
SCHEMBL423103 0.70 GRM5 (0.48) HPGDHSD11B1ALDH1A1KMT2AMEN1
SCHEMBL3778711 0.69 HPGD (0.58) HPGDHSD11B1ALDH1A1KDM4EKMT2A
SCHEMBL1427046 0.69 MEN1 (0.59) HPGDHSD11B1ALDH1A1KDM4EKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102015637-B Phenylpyrrole derivatives DAIICHI SANKYO CO LTD 2014-05-21 CN claimed
EP-2239253-B1 NOVEL PHENYLPYRROLE DERIVATIVE DAIICHI SANKYO CO LTD (JP) 2013-06-19 EP claimed
US-8415359-B2 Phenylpyrrole derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-04-09 US claimed
US-20120022075-A1 NOVEL PHENYLPYRROLE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-01-26 US claimed
US-8017610-B2 Phenylpyrrole derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-09-13 US claimed
CN-102015637-A Novel phenylpyrrole derivatives DAIICHI SANKYO CO LTD 2011-04-13 CN claimed
US-20110003787-A1 NOVEL PHENYLPYRROLE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-01-06 US claimed
EP-2239253-A1 NOVEL PHENYLPYRROLE DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2010-10-13 EP claimed
CN-102015637-B Phenylpyrrole derivatives DAIICHI SANKYO CO LTD 2014-05-21 CN disclosed
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
CN-102015637-A Novel phenylpyrrole derivatives DAIICHI SANKYO CO LTD 2011-04-13 CN 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 HPGD 1804/4885HSD11B1 1306/4885ALDH1A1 1098/4885
US-20120022075-A1 NOVEL PHENYLPYRROLE DERIVATIVE GCKR, GCK, SLC5A1 HPGD 1804/4885HSD11B1 1306/4885ALDH1A1 1098/4885

“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.