SCHEMBL3924813

SCHEMBL3924813

O=C(CCl)Nc1cc(CSc2ncccc2C(=O)Nc2ccc(C(F)(F)F)cc2)ccn1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 5/20 0.57
EGLN1 Q9GZT9 1/20 0.45
TRPV1 Q8NER1 4/20 0.44
NR3C2 P08235 2/20 0.42
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42
HTT P42858 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
JAK2 O60674 1/20 0.41
JAK1 P23458 1/20 0.41
TYK2 P29597 1/20 0.41
TP53 P04637 1/20 0.41
NNMT P40261 1/20 0.41
BTK Q06187 1/20 0.41

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
SCHEMBL3932864 0.92 KMT2A (0.51) KDRNR3C2KMT2AMEN1ALDH1A1
SCHEMBL1941876 0.92 KDR (0.56) KDREGLN1TRPV1NR3C2KMT2A
SCHEMBL3932884 0.91 KDR (0.55) KDRTRPV1KMT2AMEN1LMNA
SCHEMBL1940018 0.89 KDR (0.56) KDREGLN1TRPV1NR3C2KMT2A
SCHEMBL3928354 0.89 KDR (0.51) KDREGLN1TRPV1NR3C2KMT2A
SCHEMBL3935692 0.89 KDR (0.70) KDRKMT2AMEN1ALDH1A1LMNA
SCHEMBL3926500 0.89 KDR (0.52) KDRTRPV1KMT2AMEN1MAPT
SCHEMBL1941402 0.89 KDR (0.52) KDREGLN1TRPV1NR3C2KMT2A
SCHEMBL3924830 0.88 KDR (0.52) KDREGLN1TRPV1NR3C2KMT2A
SCHEMBL1942734 0.86 KDR (0.48) KDREGLN1TRPV1NR3C2KMT2A

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 12/4885EGLN1 757/4885TRPV1 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.