SCHEMBL3932852

SCHEMBL3932852

CC(=O)OCC(=O)Nc1cc(CSc2ncccc2C(=O)Nc2ccc(OC(F)F)cc2)ccn1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDR P35968 1/20 0.48
SMN1; SMN2 Q16637 3/20 0.44
ALDH1A1 P00352 3/20 0.43
KDM4E B2RXH2 2/20 0.43
HPGD P15428 1/20 0.43
HSD17B10 Q99714 1/20 0.43
MAPK1 P28482 1/20 0.42
TDP1 Q9NUW8 1/20 0.41
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
MAPT P10636 3/20 0.40
CRHBP P24387 1/20 0.40
CRHR2 Q13324 1/20 0.40
POLB P06746 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
GAA P10253 1/20 0.39
KIT P10721 1/20 0.38
BRAF P15056 1/20 0.38
PKM P14618 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
SCHEMBL3924386 0.92 KDR (0.45) KDRSMN1; SMN2ALDH1A1KDM4EHPGD
SCHEMBL1940970 0.90 KDR (0.51) KDRSMN1; SMN2ALDH1A1KDM4EHPGD
SCHEMBL3935246 0.89 KDR (0.52) KDRSMN1; SMN2ALDH1A1KDM4EHPGD
SCHEMBL1943519 0.89 KDR (0.50) KDRSMN1; SMN2ALDH1A1KDM4EHPGD
SCHEMBL1941605 0.89 KDR (0.48) KDRSMN1; SMN2ALDH1A1KDM4ETDP1
SCHEMBL1941567 0.89 KMT2A (0.53) KDRSMN1; SMN2ALDH1A1TDP1KMT2A
SCHEMBL1940688 0.88 KDR (0.47) KDRSMN1; SMN2ALDH1A1KDM4EMAPK1
SCHEMBL1940559 0.88 KDR (0.50) KDRALDH1A1KDM4EMAPK1KMT2A
SCHEMBL1942514 0.88 KDR (0.64) KDRSMN1; SMN2ALDH1A1KDM4ETDP1
SCHEMBL3924830 0.87 KDR (0.52) KDRKMT2AMEN1MAPTCRHBP

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 12/4885SMN1; SMN2 4412/4885ALDH1A1 4358/4885

“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.