SCHEMBL3922948

SCHEMBL3922948

CN(C)CCCNCC(=O)Nc1cc(CSc2ncccc2C(=O)Nc2ccc(Cl)cc2)ccn1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDR P35968 3/20 0.57
TDP1 Q9NUW8 1/20 0.42
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
NPC1 O15118 1/20 0.40
TSHR P16473 1/20 0.40
NR3C1 P04150 1/20 0.39
LMNA P02545 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
KMT2A Q03164 3/20 0.38
ALOX15 P16050 1/20 0.36
CHRNA7 P36544 1/20 0.36
MEN1 O00255 1/20 0.36
MAPT P10636 1/20 0.36
PDCD1 Q15116 1/20 0.36
CD274 Q9NZQ7 1/20 0.36

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
SCHEMBL1940567 0.95 KDR (0.59) KDRTDP1KDM4EALDH1A1NPC1
SCHEMBL3921061 0.92 KDR (0.61) KDRTDP1KDM4EALDH1A1NPC1
SCHEMBL3926425 0.90 KDR (0.63) KDRTDP1KDM4EALDH1A1NPC1
SCHEMBL3935742 0.88 MAPT (0.46) KDRTDP1KDM4EALDH1A1NR3C1
SCHEMBL3927550 0.87 KDR (0.59) KDRTDP1KDM4EALDH1A1NPC1
SCHEMBL1941787 0.87 KDR (0.65) KDRTDP1KDM4EALDH1A1NPC1
SCHEMBL3932735 0.85 KDR (0.61) KDRTDP1KDM4EALDH1A1NPC1
SCHEMBL1942734 0.85 KDR (0.48) KDRALDH1A1NR3C1LMNAKMT2A
SCHEMBL3935692 0.85 KDR (0.70) KDRTDP1KDM4EALDH1A1NPC1
SCHEMBL1942797 0.85 KDR (0.44) KDRKDM4EALDH1A1NPC1LMNA

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 12/4885TDP1 4444/4885KDM4E 1390/4885

“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.