SCHEMBL1785693

SCHEMBL1785693

O=C(Nc1ccc(Cl)cc1)c1ccc[nH]c1=S

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.51
MAPT P10636 2/20 0.51
KDM4E B2RXH2 1/20 0.51
HTT P42858 2/20 0.49
ALDH1A1 P00352 1/20 0.49
APOBEC3G Q9HC16 1/20 0.49
TYK2 P29597 1/20 0.49
PNLIP P16233 1/20 0.49
P2RX1 P51575 1/20 0.49
GRM5 P41594 1/20 0.48
CNR1 P21554 1/20 0.46
NPC1 O15118 3/20 0.45
TSHR P16473 1/20 0.45
RAB9A P51151 2/20 0.44
MEN1 O00255 1/20 0.44
MAPK1 P28482 1/20 0.44
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
F10 P00742 1/20 0.44

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
SCHEMBL9936655 0.86 KDM4E (0.61) GAAMAPTKDM4EHTTALDH1A1
SCHEMBL3924976 0.84 GRM5 (0.62) MAPTHTTALDH1A1P2RX1GRM5
SCHEMBL21937973 0.84 MEN1 (0.57) GAAMAPTKDM4EHTTALDH1A1
SCHEMBL21938148 0.81 KMT2A (0.56) GAAMAPTKDM4EHTTALDH1A1
SCHEMBL1942975 0.81 DHPS (0.61) GAAMAPTKDM4EHTTALDH1A1
SCHEMBL1941087 0.81 PTGS1 (0.58) GAAMAPTKDM4EHTTP2RX1
SCHEMBL21937974 0.78 PTPN1 (0.52) GAAMAPTKDM4EHTTALDH1A1
SCHEMBL21938146 0.78 GAA (0.66) GAAMAPTKDM4EHTTALDH1A1
SCHEMBL1941422 0.78 ALDH1A1 (0.46) GAAMAPTKDM4EHTTALDH1A1
SCHEMBL1786640 0.78 ABL1 (0.53) MAPTHTTNPC1TSHRMEN1

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8507485-B2 Cyclic compound having pyrimidinylalkylthio group SANTEN PHARMACEUTICAL CO., LTD. (JP) 2013-08-13 US disclosed
US-20110124646-A1 Novel cyclic compound having pyrimidinylalkylthio group SANTEN PHARMACEUTICAL CO., LTD. (JP) 2011-05-26 US disclosed
US-7906511-B2 Cyclic compound having pyrimidinylalkylthio group SANTEN PHARMACEUTICAL CO., LTD. (JP) 2011-03-15 US disclosed
US-7897774-B2 Cyclic compound having quinolylalkylthio group SANTEN PHARMACEUTICAL CO., LTD. (JP) 2011-03-01 US disclosed
US-7897774-B2 Cyclic compound having quinolylalkylthio group SANTEN PHARMACEUTICAL CO., LTD. (JP) 2011-03-01 US disclosed
EP-1854787-B1 NOVEL CYCLIC COMPOUND HAVING QUINOLYLALKYLTHIO GROUP SANTEN PHARMACEUTICAL CO LTD (JP) 2010-09-01 EP disclosed
US-20090291951-A1 Novel Cyclic Compound Having Pyrimidinylalkylthio Group SATEN PHARMACEUTICAL CO., LTD. (JP) 2009-11-26 US disclosed
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-20080021064-A1 Novel cyclic compound having quinolylalkylthio group SANTEN PHARMACEUTICAL CO., LTD. (JP) 2008-01-24 US disclosed
US-20080021064-A1 Novel cyclic compound having quinolylalkylthio group SANTEN PHARMACEUTICAL CO., LTD. (JP) 2008-01-24 US disclosed
EP-1854787-A1 NOVEL CYCLIC COMPOUND HAVING QUINOLYLALKYLTHIO GROUP SANTEN PHARMACEUTICAL CO., LTD. (JP) 2007-11-14 EP 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 (4 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-20090291951-A1 Novel Cyclic Compound Having Pyrimidinylalkylthio Group AGTR1, AGTR2, ARRB1 GAA 2418/4885MAPT 4773/4885KDM4E 4274/4885
US-20110124646-A1 Novel cyclic compound having pyrimidinylalkylthio group FLT1, VEGFA, FLT4 GAA 3033/4885MAPT 4676/4885KDM4E 3990/4885
US-20070149574-A1 Novel cyclic compound having 4-pyridylalkylthio group having substituted or unsubstituted amino group introduced therein FLT4, FLT1, TIE1 GAA 4754/4885MAPT 4537/4885KDM4E 1390/4885
US-20080021064-A1 Novel cyclic compound having quinolylalkylthio group SQOR, QSOX1, SQLE GAA 4244/4885MAPT 4673/4885KDM4E 2176/4885

“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.