SCHEMBL13792995

SCHEMBL13792995

CNC(=O)CNCCNC(C)=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.44
MAPK1 P28482 1/20 0.44
HIF1A Q16665 1/20 0.44
TSHR P16473 1/20 0.41
PAOX Q6QHF9 3/20 0.41
ALDH1A1 P00352 1/20 0.40
ADRA1A P35348 1/20 0.36
NPSR1 Q6W5P4 1/20 0.35
MAPT P10636 1/20 0.34
RAB9A P51151 1/20 0.34
F13A1 P00488 1/20 0.33
CNR1 P21554 1/20 0.33
MTNR1A P48039 5/20 0.32
MTNR1B P49286 5/20 0.32
MCL1 Q07820 1/20 0.32
LMNA P02545 1/20 0.32
CA12 O43570 1/20 0.32
CA4 P22748 1/20 0.32
CA7 P43166 1/20 0.32
CA9 Q16790 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
SCHEMBL29460411 0.84 MCL1 (0.39) ALDH1A1MAPTMCL1LMNAGAA
SCHEMBL12226422 0.79 KDM4E (0.50) KDM4EMAPK1HIF1ATSHRPAOX
SCHEMBL14540254 0.79 MCL1 (0.36) MCL1LMNAGAA
SCHEMBL3623995 0.79
SCHEMBL13398529 0.78 KDM4E (0.60) KDM4EMAPK1HIF1ATSHRPAOX
SCHEMBL6130978 0.78 KDM4E (0.60) KDM4EMAPK1HIF1ATSHRPAOX
SCHEMBL21089233 0.78 KDM4E (0.60) KDM4EMAPK1HIF1ATSHRPAOX
SCHEMBL12407913 0.78 KDM4E (0.60) KDM4EMAPK1HIF1ATSHRPAOX
SCHEMBL30139880 0.77 ADRA1A (0.54) KDM4EMAPK1HIF1ATSHRPAOX
SCHEMBL3192012 0.75 MCL1 (0.43) KDM4EALDH1A1MAPTMCL1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7544703-B2 Cyclic compound having 4-pyridylalkylthio group having substituted or unsubstituted amino group introduced therein SANTEN PHARMACEUTICAL CO., LTD. (JP) 2009-06-09 US disclosed
US-7544703-B2 Cyclic compound having 4-pyridylalkylthio group having substituted or unsubstituted amino group introduced therein SANTEN PHARMACEUTICAL CO., LTD. (JP) 2009-06-09 US disclosed
US-20070149574-A1 Novel cyclic compound having 4-pyridylalkylthio group having substituted or unsubstituted amino group introduced therein SANTEN PHARMACEUTICAL CO., LTD. (JP) 2007-06-28 US disclosed
US-20070149574-A1 Novel cyclic compound having 4-pyridylalkylthio group having substituted or unsubstituted amino group introduced therein SANTEN PHARMACEUTICAL CO., LTD. (JP) 2007-06-28 US 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-20070149574-A1 Novel cyclic compound having 4-pyridylalkylthio group having substituted or unsubstituted amino group introduced therein FLT4, FLT1, TIE1 KDM4E 1390/4885MAPK1 1466/4885HIF1A 366/4885

“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.