SCHEMBL3921063

SCHEMBL3921063

O=C(CNCCCO)NC(Sc1ncccc1C(=O)Nc1ccc(Cl)cc1)c1ccncc1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDR P35968 7/20 0.52
KMT2A Q03164 2/20 0.43
NPC1 O15118 1/20 0.43
TSHR P16473 1/20 0.43
TDP1 Q9NUW8 1/20 0.39
JAK2 O60674 2/20 0.38
TYK2 P29597 2/20 0.38
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MAPK1 P28482 1/20 0.36
JAK1 P23458 1/20 0.36
PRKCI P41743 1/20 0.36
NR3C1 P04150 1/20 0.36
GRM4 Q14833 1/20 0.36
MEN1 O00255 1/20 0.35
FLT1 P17948 1/20 0.35

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
SCHEMBL3926428 0.95 KDR (0.54) KDRKMT2ANPC1TSHRTDP1
SCHEMBL3922954 0.92 KDR (0.49) KDRKMT2ANPC1TSHRTDP1
SCHEMBL1940569 0.88 KDR (0.51) KDRKMT2ANPC1TSHRTDP1
SCHEMBL3927544 0.88 KDR (0.51) KDRKMT2ANPC1TSHRTDP1
SCHEMBL1940229 0.88 KDR (0.59) KDRKMT2ANPC1TSHRTDP1
SCHEMBL3935683 0.88 KDR (0.59) KDRKMT2ANPC1TSHRTDP1
SCHEMBL1940618 0.87 KMT2A (0.42) KDRKMT2ANPC1TDP1KDM4E
SCHEMBL1941600 0.87 KDR (0.49) KDRKMT2ANPC1TDP1KDM4E
SCHEMBL3932869 0.87 KDR (0.49) KDRKMT2ANPC1TSHRTDP1
SCHEMBL3932738 0.86 KDR (0.52) KDRKMT2ANPC1TSHRTDP1

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 2 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-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 12/4885KMT2A 2966/4885NPC1 3652/4885

“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.