SCHEMBL4018030

SCHEMBL4018030

O=C(NCCOc1ccccc1)c1cccnc1SCc1ccncc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 1/20 0.56
SMN1; SMN2 Q16637 3/20 0.55
LMNA P02545 3/20 0.55
MAPK1 P28482 2/20 0.55
KDM4E B2RXH2 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
PKM P14618 2/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
ALDH1A1 P00352 3/20 0.54
CYP2C9 P11712 1/20 0.54
NPC1 O15118 3/20 0.52
RAB9A P51151 3/20 0.52
KMT2A Q03164 3/20 0.50
MEN1 O00255 1/20 0.50
MAPT P10636 1/20 0.50
HPGD P15428 2/20 0.48
TP53 P04637 1/20 0.47
MAPK8 P45983 1/20 0.46
ATM Q13315 1/20 0.46
GAA P10253 1/20 0.44

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
SCHEMBL4017626 0.80 EGLN1 (0.57) KDRSMN1; SMN2LMNAPKML3MBTL1
SCHEMBL4016903 0.80 KDR (0.73) KDRMAPK1PKML3MBTL1ALDH1A1
SCHEMBL4019980 0.79 KDR (0.80) KDRSMN1; SMN2LMNAKDM4EPKM
SCHEMBL4020492 0.78 KDR (0.71) KDRSMN1; SMN2LMNAKDM4EALDH1A1
SCHEMBL4015789 0.78 KDR (0.70) KDRSMN1; SMN2LMNAMAPK1KDM4E
SCHEMBL4023036 0.78 KDR (0.70) KDRSMN1; SMN2LMNAMAPK1KDM4E
SCHEMBL4018265 0.78 L3MBTL1 (0.60) KDRSMN1; SMN2LMNAKDM4EPKM
SCHEMBL4016000 0.77 KDR (0.60) KDRSMN1; SMN2MAPK1PKML3MBTL1
SCHEMBL4023063 0.77 KDR (0.68) KDRLMNAMAPK1KDM4EPKM
SCHEMBL4018329 0.77 ALDH1A1 (0.83) KDRSMN1; SMN2KDM4EPKML3MBTL1

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2527326-B1 Novel compounds having 4-pyridylalkylthio group as substituent SANTEN PHARMACEUTICAL CO LTD (JP) 2014-10-08 EP disclosed
EP-2527326-B1 Novel compounds having 4-pyridylalkylthio group as substituent SANTEN PHARMACEUTICAL CO LTD (JP) 2014-10-08 EP disclosed
EP-1602647-B1 NOVEL COMPOUND HAVING 4-PYRIDYLALKYLTHIO GROUP AS SUBSTITUENT SANTEN PHARMACEUTICAL CO LTD (JP) 2013-10-16 EP disclosed
EP-1602647-B1 NOVEL COMPOUND HAVING 4-PYRIDYLALKYLTHIO GROUP AS SUBSTITUENT SANTEN PHARMACEUTICAL CO LTD (JP) 2013-10-16 EP disclosed
US-8518973-B2 Compounds having 4-pyridylalkylthio group as a substituent SANTEN PHARMACEUTICAL CO., LTD. (JP) 2013-08-27 US disclosed
US-8518973-B2 Compounds having 4-pyridylalkylthio group as a substituent SANTEN PHARMACEUTICAL CO., LTD. (JP) 2013-08-27 US disclosed
US-8518973-B2 Compounds having 4-pyridylalkylthio group as a substituent SANTEN PHARMACEUTICAL CO., LTD. (JP) 2013-08-27 US disclosed
US-20120202817-A1 COMPOUNDS HAVING 4-PYRIDYLALKYLTHIO GROUP AS A SUBSTITUENT SANTEN PHARMACEUTICAL CO., LTD. (JP) 2012-08-09 US disclosed
US-20120202817-A1 COMPOUNDS HAVING 4-PYRIDYLALKYLTHIO GROUP AS A SUBSTITUENT SANTEN PHARMACEUTICAL CO., LTD. (JP) 2012-08-09 US disclosed
US-20120202817-A1 COMPOUNDS HAVING 4-PYRIDYLALKYLTHIO GROUP AS A SUBSTITUENT SANTEN PHARMACEUTICAL CO., LTD. (JP) 2012-08-09 US disclosed
US-8207194-B2 Compounds having a 4-pyridylalkylthio group as a substituent SANTEN PHARMACEUTICAL CO., LTD. (JP) 2012-06-26 US disclosed
US-8207194-B2 Compounds having a 4-pyridylalkylthio group as a substituent SANTEN PHARMACEUTICAL CO., LTD. (JP) 2012-06-26 US disclosed
US-20090286786-A1 Compounds having a 4-pyridylalkylthio group as a substituent SANTEN PHARMACEUTICAL CO., LTD. (JP) 2009-11-19 US disclosed
US-20090286786-A1 Compounds having a 4-pyridylalkylthio group as a substituent SANTEN PHARMACEUTICAL CO., LTD. (JP) 2009-11-19 US disclosed
US-20090286786-A1 Compounds having a 4-pyridylalkylthio group as a substituent SANTEN PHARMACEUTICAL CO., LTD. (JP) 2009-11-19 US disclosed
US-7534802-B2 Compounds having 4-pyridylalkylthio group as substituent SANTEN PHARMACEUTICAL CO., LTD. (JP) 2009-05-19 US disclosed
US-7534802-B2 Compounds having 4-pyridylalkylthio group as substituent SANTEN PHARMACEUTICAL CO., LTD. (JP) 2009-05-19 US disclosed
US-7534802-B2 Compounds having 4-pyridylalkylthio group as substituent SANTEN PHARMACEUTICAL CO., LTD. (JP) 2009-05-19 US disclosed
US-20060194836-A1 Novel compounds having 4-pyridylalkylthio group as substituent SANTEN PHARMACEUTICAL CO., LTD. (JP) 2006-08-31 US disclosed
EP-1602647-A1 NOVEL COMPOUND HAVING 4-PYRIDYLALKYLTHIO GROUP AS SUBSTITUENT SANTEN PHARMACEUTICAL CO., LTD. (JP) 2005-12-07 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 (3 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-20060194836-A1 Novel compounds having 4-pyridylalkylthio group as substituent FLT4, FLT1, KDR KDR 3/4885SMN1; SMN2 4686/4885LMNA 3697/4885
US-20090286786-A1 Compounds having a 4-pyridylalkylthio group as a substituent FLT1, FLT4, PYM1 KDR 5/4885SMN1; SMN2 3986/4885LMNA 3529/4885
US-20120202817-A1 COMPOUNDS HAVING 4-PYRIDYLALKYLTHIO GROUP AS A SUBSTITUENT FLT1, PYM1, FLT4 KDR 6/4885SMN1; SMN2 3840/4885LMNA 3964/4885

“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.