SCHEMBL2539403

SCHEMBL2539403

O=c1cc(O)c2cscc2[nH]1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.58
ALDH1A1 P00352 3/20 0.58
KDM5A P29375 1/20 0.51
AR P10275 1/20 0.40
GLA P06280 1/20 0.38
GAA P10253 1/20 0.38
HPGD P15428 1/20 0.38
BRD4 O60885 1/20 0.36
SRC P12931 1/20 0.34
SHMT2 P34897 1/20 0.34
HTT P42858 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C19 P33261 1/20 0.33
TNKS2 Q9H2K2 1/20 0.33
ERN1 O75460 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
BAZ2B Q9UIF8 1/20 0.32

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
SCHEMBL29624606 0.73 KDM4E (1.00) KDM4EALDH1A1KDM5AARGLA
SCHEMBL1193735 0.73 KDM4E (1.00) KDM4EALDH1A1KDM5AARGLA
SCHEMBL8127333 0.69 TP53 (0.66) KDM4EALDH1A1KDM5AGLAGAA
SCHEMBL29831055 0.69 KDM4E (0.59) KDM4EALDH1A1KDM5AARGLA
SCHEMBL14796728 0.69 KDM4E (0.59) KDM4EALDH1A1KDM5AARGLA
SCHEMBL30064094 0.68 KDM5A (1.00) KDM4EALDH1A1KDM5AHPGD
SCHEMBL7308544 0.67 TNKS2 (0.51) KDM4EALDH1A1KDM5AARHTT
SCHEMBL2268508 0.66 AR (0.61) KDM4EALDH1A1KDM5AARGLA
SCHEMBL743131 0.66 KDM4E (0.71) KDM4EALDH1A1KDM5AGLAGAA
SCHEMBL13245001 0.66 ALDH1A1 (0.54) KDM4EALDH1A1KDM5AARGLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8044068-B2 Aminopyrrolidine compound TAISHO PHARMACEUTICAL CO., LTD (JP) 2011-10-25 US disclosed
US-8044068-B2 Aminopyrrolidine compound TAISHO PHARMACEUTICAL CO., LTD (JP) 2011-10-25 US disclosed
US-8044068-B2 Aminopyrrolidine compound TAISHO PHARMACEUTICAL CO., LTD (JP) 2011-10-25 US disclosed
US-20090291940-A1 AMINOPYRROLIDINE COMPOUND TAISHO PHARMACEUTICAL CO., LTD. (JP) 2009-11-26 US disclosed
US-20090291940-A1 AMINOPYRROLIDINE COMPOUND TAISHO PHARMACEUTICAL CO., LTD. (JP) 2009-11-26 US disclosed
US-20090291940-A1 AMINOPYRROLIDINE COMPOUND TAISHO PHARMACEUTICAL CO., LTD. (JP) 2009-11-26 US disclosed
EP-2003131-A1 AMINOPYRROLIDINE COMPOUND Taisho Pharmaceutical Co. Ltd. (JP) 2008-12-17 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 (1 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-20090291940-A1 AMINOPYRROLIDINE COMPOUND MC4R, MC5R, MC2R KDM4E 728/4885ALDH1A1 2275/4885KDM5A 2277/4885

“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.