SCHEMBL3924976

SCHEMBL3924976

O=C(Nc1cccc(Cl)c1)c1ccc[nH]c1=S

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 5/20 0.62
FADS1 O60427 3/20 0.59
P2RX1 P51575 1/20 0.56
P2RX4 Q99571 1/20 0.56
P2RX7 Q99572 1/20 0.56
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
KMT2A Q03164 3/20 0.51
MEN1 O00255 2/20 0.51
LMNA P02545 2/20 0.51
HTT P42858 2/20 0.51
ALDH1A1 P00352 1/20 0.51
MAPT P10636 1/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
TP53 P04637 1/20 0.51
HSPD1 P10809 1/20 0.50
HSPE1 P61604 1/20 0.50
GRM4 Q14833 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49

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
SCHEMBL1785693 0.84 GAA (0.51) GRM5P2RX1NPC1RAB9AKMT2A
SCHEMBL3924356 0.83 MEN1 (0.59) GRM5KMT2AMEN1ALDH1A1MAPT
SCHEMBL9936655 0.82 KDM4E (0.61) NPC1RAB9AKMT2AMEN1LMNA
SCHEMBL2529545 0.80 NPC1 (0.63) GRM5FADS1P2RX1P2RX4P2RX7
SCHEMBL1784495 0.77 KMT2A (0.51) P2RX1KMT2AMEN1HTTALDH1A1
SCHEMBL21937973 0.77 MEN1 (0.57) NPC1RAB9AKMT2AMEN1LMNA
SCHEMBL1499498 0.77 GRM5 (1.00) GRM5FADS1P2RX1P2RX4P2RX7
SCHEMBL25669217 0.77 GRM5 (0.64) GRM5FADS1P2RX1P2RX4P2RX7
SCHEMBL28084403 0.77 FADS1 (0.70) GRM5FADS1P2RX1P2RX4P2RX7
SCHEMBL15778718 0.76 FADS1 (0.74) FADS1P2RX1P2RX4P2RX7NPC1

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 GRM5 2371/4885FADS1 3003/4885P2RX1 721/4885

“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.