SCHEMBL1942007

SCHEMBL1942007

COCC(=O)Nc1cc(CSc2ncccc2C(=O)Nc2ccc(Cl)cc2)ccn1

nearest known ligand 0.65

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDR P35968 4/20 0.65
NPC1 O15118 1/20 0.47
TSHR P16473 1/20 0.47
LMNA P02545 3/20 0.47
KDM4E B2RXH2 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
ALDH1A1 P00352 2/20 0.47
PKM P14618 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
TDP1 Q9NUW8 2/20 0.42
MAPT P10636 1/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 1/20 0.41
HIF1A Q16665 1/20 0.40

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
SCHEMBL1942514 0.92 KDR (0.64) KDRNPC1TSHRLMNAKDM4E
SCHEMBL1940228 0.89 KDR (0.70) KDRNPC1TSHRLMNAKDM4E
SCHEMBL3935692 0.89 KDR (0.70) KDRNPC1TSHRLMNAKDM4E
SCHEMBL1941440 0.88 KDR (0.48) KDRNPC1LMNAKDM4ESMN1; SMN2
SCHEMBL3921127 0.88 KDR (0.68) KDRNPC1TSHRLMNAKDM4E
SCHEMBL1940525 0.88 KDR (0.71) KDRNPC1TSHRLMNAKDM4E
SCHEMBL1941787 0.88 KDR (0.65) KDRNPC1TSHRLMNAKDM4E
SCHEMBL3923961 0.87 KDR (0.51) KDRLMNASMN1; SMN2PKML3MBTL1
SCHEMBL3927009 0.87 KDR (0.72) KDRNPC1TSHRLMNAKDM4E
SCHEMBL3927821 0.87 KDR (0.64) KDRNPC1TSHRLMNAKDM4E

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
EP-1717229-B1 NOVEL CYCLIC COMPOUND HAVING 4-PYRIDYLALKYLTHIO GROUP HAVING (UN)SUBSTITUTED AMINO INTRODUCED THEREIN SANTEN PHARMACEUTICAL CO LTD (JP) 2011-06-15 EP 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
EP-1717229-A1 NOVEL CYCLIC COMPOUND HAVING 4-PYRIDYLALKYLTHIO GROUP HAVING (UN)SUBSTITUTED AMINO INTRODUCED THEREIN SANTEN PHARMACEUTICAL CO., LTD. (JP) 2006-11-02 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-20070149574-A1 Novel cyclic compound having 4-pyridylalkylthio group having substituted or unsubstituted amino group introduced therein FLT4, FLT1, TIE1 KDR 12/4885NPC1 3652/4885TSHR 203/4885

“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.