SCHEMBL3932869

SCHEMBL3932869

O=C(CNCCN1CCCC1)NC(Sc1ncccc1C(=O)Nc1ccc(Cl)cc1)c1ccncc1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDR P35968 3/20 0.49
CNR1 P21554 1/20 0.41
KMT2A Q03164 1/20 0.41
NPC1 O15118 1/20 0.40
TSHR P16473 1/20 0.40
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
RAB9A P51151 1/20 0.39
EPHX2 P34913 1/20 0.39
PRCP P42785 1/20 0.38
NR3C1 P04150 1/20 0.38
CHRNA7 P36544 1/20 0.37
KCNH2 Q12809 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
NAMPT P43490 1/20 0.37
OPRM1 P35372 1/20 0.37
OPRD1 P41143 1/20 0.37
OPRK1 P41145 1/20 0.37

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
SCHEMBL3926428 0.88 KDR (0.54) KDRKMT2ANPC1TSHRALDH1A1
SCHEMBL3921094 0.88 KDR (0.46) KDRKMT2AMAPTEPHX2KCNH2
SCHEMBL1943124 0.88 KDR (0.53) KDRKMT2ANPC1TSHRALDH1A1
SCHEMBL3921063 0.87 KDR (0.52) KDRKMT2ANPC1TSHRALDH1A1
SCHEMBL3927544 0.85 KDR (0.51) KDRCNR1KMT2ANPC1TSHR
SCHEMBL1940569 0.85 KDR (0.51) KDRKMT2ANPC1TSHRALDH1A1
SCHEMBL3923550 0.85 KDR (0.50) KDRKMT2ANPC1TSHRALDH1A1
SCHEMBL3935683 0.85 KDR (0.59) KDRKMT2ANPC1TSHRALDH1A1
SCHEMBL3922954 0.84 KDR (0.49) KDRKMT2ANPC1TSHRALDH1A1
SCHEMBL3935970 0.84 KDR (0.51) KDRCNR1KMT2ANPC1TSHR

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 12/4885CNR1 13/4885KMT2A 2966/4885

“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.