SCHEMBL1942589

SCHEMBL1942589

Cc1cccc(NC(=O)c2cccnc2SCc2ccnc(NC(=O)CNCCN(C)C)c2)c1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDR P35968 1/20 0.43
MAPT P10636 2/20 0.38
TP53 P04637 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
KDM4E B2RXH2 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
DRD2 P14416 2/20 0.37
DRD4 P21917 2/20 0.37
DRD3 P35462 2/20 0.37
NR3C2 P08235 1/20 0.37
ALDH1A1 P00352 2/20 0.37
LOXL2 Q9Y4K0 1/20 0.37
HPGD P15428 1/20 0.37
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37

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
SCHEMBL1942797 0.94 KDR (0.44) KDRTP53SMN1; SMN2KDM4ENPC1
SCHEMBL1942961 0.91 KDR (0.45) KDRMAPTTP53SMN1; SMN2KDM4E
SCHEMBL3933243 0.90 MEN1 (0.46) KDRMAPTKDM4EALDH1A1HPGD
SCHEMBL3926455 0.90 KDR (0.42) KDRMAPTSMN1; SMN2KDM4ENPC1
SCHEMBL1940941 0.88 KDR (0.47) KDRMAPTTP53SMN1; SMN2KDM4E
SCHEMBL1940567 0.88 KDR (0.59) KDRMAPTTP53SMN1; SMN2KDM4E
Hydrochloric Acid SCHEMBL1942614 0.88 KDR (0.46) KDRMAPTTP53SMN1; SMN2KDM4E
SCHEMBL3935290 0.87 KDR (0.51) KDRMAPTTP53SMN1; SMN2KDM4E
SCHEMBL1942734 0.86 KDR (0.48) KDRMAPTNR3C2ALDH1A1HPGD
SCHEMBL1940476 0.86 KDR (0.49) KDRMAPTTP53SMN1; SMN2KDM4E

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 5 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 claimed
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 claimed
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 claimed
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

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 12/4885MAPT 4537/4885TP53 1624/4885

“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.