SCHEMBL3932287

SCHEMBL3932287

CC(=O)OCC(=O)Nc1cc(CSc2ncccc2C(=O)Nc2cccc(C(C)C)c2)ccn1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDR P35968 6/20 0.44
FADS1 O60427 1/20 0.41
BRAF P15056 1/20 0.39
TEK Q02763 2/20 0.39
ALDH1A1 P00352 4/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
PKM P14618 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
LMNA P02545 2/20 0.38
USP2 O75604 1/20 0.38
HTT P42858 1/20 0.38
AKR1C3 P42330 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
POLB P06746 2/20 0.38
TP53 P04637 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38

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
SCHEMBL1941539 0.90 KDR (0.47) KDRFADS1BRAFTEKALDH1A1
SCHEMBL1941134 0.90 KDR (0.48) KDRFADS1BRAFTEKL3MBTL1
SCHEMBL3933624 0.89 KDR (0.48) KDRFADS1BRAFTEKALDH1A1
SCHEMBL1941842 0.89 KDR (0.46) KDRALDH1A1L3MBTL1PKMNPSR1
SCHEMBL3926546 0.87 MEN1 (0.47) KDRALDH1A1L3MBTL1NPSR1SMN1; SMN2
SCHEMBL1941541 0.85 KDR (0.48) KDRALDH1A1L3MBTL1PKMSMN1; SMN2
SCHEMBL3935818 0.85 KDR (0.43) KDRFADS1BRAFTEKALDH1A1
SCHEMBL1941329 0.85 KDR (0.44) KDRFADS1BRAFTEKALDH1A1
SCHEMBL1942514 0.85 KDR (0.64) KDRALDH1A1L3MBTL1PKMSMN1; SMN2
SCHEMBL3926455 0.83 KDR (0.42) KDRFADS1BRAFTEKALDH1A1

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 12/4885FADS1 3003/4885BRAF 1241/4885

“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.