SCHEMBL4022007

SCHEMBL4022007

O=C(Nc1ccc(Cl)cc1)c1cccnc1SCc1ccnc(Cl)c1

nearest known ligand 0.78

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDR P35968 4/20 0.78
NPC1 O15118 1/20 0.50
TSHR P16473 1/20 0.50
KDM4E B2RXH2 3/20 0.47
ALDH1A1 P00352 3/20 0.47
LMNA P02545 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
KMT2A Q03164 4/20 0.46
CYP2C9 P11712 1/20 0.45
MEN1 O00255 3/20 0.45
TDP1 Q9NUW8 2/20 0.45
MAPT P10636 1/20 0.45
HTT P42858 1/20 0.45
PKM P14618 1/20 0.44
L3MBTL1 Q9Y468 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
SCHEMBL4018015 0.90 KDR (0.76) KDRNPC1TSHRKDM4EALDH1A1
SCHEMBL4023689 0.89 KDR (0.62) KDRNPC1KDM4EALDH1A1LMNA
SCHEMBL1939717 0.89 KDR (0.75) KDRNPC1TSHRKDM4EALDH1A1
SCHEMBL1941144 0.89 KDR (0.75) KDRNPC1TSHRKDM4EALDH1A1
SCHEMBL4016153 0.89 KDR (0.62) KDRKDM4EALDH1A1LMNASMN1; SMN2
SCHEMBL4017216 0.89 KDR (0.62) KDRNPC1TSHRKDM4EALDH1A1
Hydrochloric Acid SCHEMBL1941429 0.89 KDR (0.74) KDRNPC1TSHRKDM4EALDH1A1
SCHEMBL4016597 0.88 KDR (1.00) KDRNPC1TSHRALDH1A1KMT2A
SCHEMBL4021185 0.88 KDR (0.72) KDRNPC1TSHRKDM4EALDH1A1
SCHEMBL3927009 0.88 KDR (0.72) KDRNPC1TSHRKDM4EALDH1A1

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 20 patents. 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-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

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 3/4885NPC1 1632/4885TSHR 1210/4885
US-20090286786-A1 Compounds having a 4-pyridylalkylthio group as a substituent FLT1, FLT4, PYM1 KDR 5/4885NPC1 1627/4885TSHR 1256/4885
US-20120202817-A1 COMPOUNDS HAVING 4-PYRIDYLALKYLTHIO GROUP AS A SUBSTITUENT FLT1, PYM1, FLT4 KDR 6/4885NPC1 1791/4885TSHR 1195/4885

“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.