SCHEMBL1959113

SCHEMBL1959113

CN(C)CCN(C)c1ccc(C=O)s1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 2/20 0.35
DPP4 P27487 1/20 0.32
HRH3 Q9Y5N1 1/20 0.31
KDM1A O60341 1/20 0.31
MAPK1 P28482 2/20 0.30
APP P05067 1/20 0.30
CYP2E1 P05181 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2A6 P11509 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2B6 P20813 1/20 0.30
CYP2C19 P33261 1/20 0.30
LMNA P02545 1/20 0.30
GAA P10253 1/20 0.30
MAPT P10636 1/20 0.30
HTT P42858 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL1957123 0.84 ALDH1A1 (0.38) ALDH1A1KDM4EDPP4
SCHEMBL13237821 0.83 ALDH1A1 (0.44) ALDH1A1KDM4EDPP4APPMAPT
SCHEMBL15040939 0.81 ALDH1A1 (0.44) ALDH1A1KDM4EDPP4APPCYP2E1
SCHEMBL15040912 0.81 ALDH1A1 (0.36) ALDH1A1KDM4ELMNASMN1; SMN2
SCHEMBL14327712 0.79 ALDH1A1 (0.34) ALDH1A1KDM4E
SCHEMBL3053124 0.77 ALDH1A1 (0.41) ALDH1A1KDM4EDPP4APPCYP2E1
SCHEMBL21036842 0.76 DPP4 (0.41) ALDH1A1KDM4EDPP4APPCYP2E1
SCHEMBL16888821 0.73 ALDH1A1 (0.39) ALDH1A1KDM4EDPP4APPCYP2E1
SCHEMBL7647247 0.73 ALDH1A1 (0.43) ALDH1A1DPP4APPCYP2E1CYP3A4
SCHEMBL50725 0.72 ALDH1A1 (0.46) ALDH1A1KDM4EDPP4APPCYP2E1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2332905-B1 BCRP/ABCG2 Inhibitor YAKULT HONSHA KK (JP) 2017-03-01 EP disclosed
US-8697742-B2 BCRP/ABCG2 inhibitor KABUSHIKI KAISHA YAKULT HONSHA (JP) 2014-04-15 US disclosed
CN-101166719-B Bcrp/abcg2 inhibitor YAKULT HONSHA KK 2012-11-07 CN disclosed
EP-2332905-A1 BCRP/ABCG3 Inhibitor Kabushiki Kaisha Yakult Honsha (JP) 2011-06-15 EP disclosed
US-20100081652-A1 Cinnamoyl Compound and Use Thereof SHIRAKI HIROAKI 2010-04-01 US disclosed
US-20090253656-A1 BCRP/ABCG2 INHIBITOR KABUSHIKI KAISHA YAKULT HONSHA (JP) 2009-10-08 US disclosed
EP-1864972-A1 BCRP/ABCG2 INHIBITOR Kabushiki Kaisha Yakult Honsha (JP) 2007-12-12 EP disclosed
EP-1857455-A1 CINNAMOYL COMPOUND AND USE THEREOF Sumitomo Chemical Company, Limited (JP) 2007-11-21 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-20090253656-A1 BCRP/ABCG2 INHIBITOR ABCC1, ABCB1, BRCA1 ALDH1A1 112/4885KDM4E 4298/4885DPP4 4245/4885
US-20100081652-A1 Cinnamoyl Compound and Use Thereof COL2A1, MMP7, COL14A1 ALDH1A1 474/4885KDM4E 2703/4885DPP4 2076/4885

“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.