SCHEMBL3927552

SCHEMBL3927552

CC(=O)OCC(=O)NC(Sc1ncccc1C(=O)Nc1ccc(C(C)(C)C)cc1)c1ccncc1

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.45
KDR P35968 11/20 0.44
FLT1 P17948 4/20 0.40
TRPV1 Q8NER1 2/20 0.39
NAMPT P43490 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
SCHEMBL3924825 0.93 KDR (0.52) KMT2AKDRFLT1TRPV1
SCHEMBL1942512 0.90 KDR (0.56) KMT2AKDR
SCHEMBL1941875 0.89 KMT2A (0.49) KMT2AKDRFLT1TRPV1NAMPT
SCHEMBL3932887 0.88 KMT2A (0.48) KMT2AKDRFLT1TRPV1NAMPT
SCHEMBL1941150 0.88 KDR (0.55) KMT2AKDRFLT1TRPV1NAMPT
SCHEMBL3932845 0.87 KMT2A (0.44) KMT2AKDR
SCHEMBL1941540 0.86 KMT2A (0.44) KMT2AKDR
SCHEMBL3926542 0.86 KDR (0.50) KMT2AKDRFLT1
SCHEMBL1941461 0.86 KDR (0.53) KMT2AKDRFLT1TRPV1NAMPT
SCHEMBL1941840 0.85 KMT2A (0.43) KMT2AKDRFLT1NAMPT

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 KMT2A 2966/4885KDR 12/4885FLT1 2/4885

“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.