SCHEMBL1789920

SCHEMBL1789920

C[S+]([O-])c1nccc(CSc2ncccc2C(=O)Nc2cccc(Cl)c2)n1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDR P35968 3/20 0.48
GRM4 Q14833 2/20 0.44
HDAC6 Q9UBN7 1/20 0.43
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
MAPT P10636 2/20 0.42
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.41
FADS1 O60427 1/20 0.40
NLRP3 Q96P20 1/20 0.40
AKR1C3 P42330 1/20 0.40
ATM Q13315 1/20 0.39
GFER P55789 1/20 0.39
SGMS2 Q8NHU3 1/20 0.39

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
SCHEMBL1787447 0.90 KDR (0.60) KDRMEN1KMT2AMAPTNPC1
SCHEMBL1789590 0.88 MEN1 (0.49) KDRMEN1KMT2AMAPTSMN1; SMN2
SCHEMBL1789248 0.86 KDR (0.43) KDRMEN1KMT2AMAPTNPC1
SCHEMBL1788101 0.80 NPC1 (0.40) KDRMEN1KMT2AMAPTNPC1
SCHEMBL1788662 0.80 KMT2A (0.53) KDRHDAC6MEN1KMT2AMAPT
SCHEMBL1788104 0.80 KDR (0.47) KDRGRM4HDAC6MEN1KMT2A
SCHEMBL1788133 0.80 ALDH1A1 (0.54) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL1787272 0.79 KDR (0.45) KDRGRM4HDAC6MEN1KMT2A
SCHEMBL1786820 0.78 KDR (0.46) KDRGRM4HDAC6MEN1KMT2A
SCHEMBL4018856 0.78 KDR (0.61) KDRGRM4HDAC6MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1864977-B1 NOVEL CYCLIC COMPOUND HAVING PYRIMIDINYLALKYLTHIO GROUP SANTEN PHARMACEUTICAL CO LTD (JP) 2015-07-29 EP disclosed
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-20090291951-A1 Novel Cyclic Compound Having Pyrimidinylalkylthio Group SATEN PHARMACEUTICAL CO., LTD. (JP) 2009-11-26 US disclosed
EP-1864977-A1 NOVEL CYCLIC COMPOUND HAVING PYRIMIDINYLALKYLTHIO GROUP SANTEN PHARMACEUTICAL CO., LTD. (JP) 2007-12-12 EP 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 (2 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 KDR 2531/4885GRM4 1331/4885HDAC6 626/4885
US-20110124646-A1 Novel cyclic compound having pyrimidinylalkylthio group FLT1, VEGFA, FLT4 KDR 4/4885GRM4 3217/4885HDAC6 360/4885

“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.