SCHEMBL3935692

SCHEMBL3935692

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

nearest known ligand 0.70

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDR P35968 3/20 0.70
NPC1 O15118 1/20 0.45
TSHR P16473 1/20 0.45
KDM4E B2RXH2 3/20 0.43
LMNA P02545 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
ALDH1A1 P00352 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
KMT2A Q03164 7/20 0.41
MEN1 O00255 6/20 0.41
MAPT P10636 2/20 0.41
HTT P42858 1/20 0.41
CYP2C9 P11712 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
SCHEMBL1940228 0.92 KDR (0.70) KDRNPC1TSHRKDM4ELMNA
SCHEMBL3921127 0.91 KDR (0.68) KDRNPC1TSHRKDM4ELMNA
SCHEMBL1940525 0.89 KDR (0.71) KDRNPC1TSHRKDM4ELMNA
SCHEMBL3926425 0.89 KDR (0.63) KDRNPC1TSHRKDM4ELMNA
SCHEMBL3932884 0.89 KDR (0.55) KDRKDM4ELMNASMN1; SMN2TDP1
SCHEMBL1941787 0.89 KDR (0.65) KDRNPC1TSHRKDM4ELMNA
SCHEMBL3924813 0.89 KDR (0.57) KDRLMNAALDH1A1KMT2AMEN1
SCHEMBL1942007 0.89 KDR (0.65) KDRNPC1TSHRKDM4ELMNA
SCHEMBL3927009 0.88 KDR (0.72) KDRNPC1TSHRKDM4ELMNA
SCHEMBL3927821 0.88 KDR (0.64) KDRNPC1TSHRKDM4ELMNA

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 12/4885NPC1 3652/4885TSHR 203/4885

“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.