SCHEMBL3932887

SCHEMBL3932887

CC(C)(C)c1ccc(NC(=O)c2cccnc2SC(NC(=O)CCl)c2ccncc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.48
KDR P35968 5/20 0.46
TRPV1 Q8NER1 7/20 0.41
NAMPT P43490 1/20 0.41
FLT1 P17948 3/20 0.40
NPC1 O15118 1/20 0.39
TSHR P16473 1/20 0.39

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
SCHEMBL1941875 0.92 KMT2A (0.49) KMT2AKDRTRPV1NAMPTFLT1
SCHEMBL3924809 0.92 KDR (0.51) KMT2AKDRTRPV1
SCHEMBL3935683 0.89 KDR (0.59) KMT2AKDRNPC1TSHR
SCHEMBL3927552 0.88 KMT2A (0.45) KMT2AKDRTRPV1NAMPTFLT1
SCHEMBL3924135 0.87 KMT2A (0.46) KMT2AKDRTRPV1NAMPTFLT1
SCHEMBL3935938 0.86 KMT2A (0.44) KMT2AKDRTRPV1NAMPTFLT1
SCHEMBL3928466 0.85 KMT2A (0.47) KMT2AKDRNPC1
SCHEMBL3926494 0.85 KDR (0.54) KMT2AKDRTRPV1NAMPTFLT1
SCHEMBL1941141 0.84 TDP1 (0.44) KMT2AKDRTRPV1
SCHEMBL3935235 0.84 KDR (0.45) KMT2AKDRNPC1TSHR

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 12/4885TRPV1 2238/4885

“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.