SCHEMBL95932

SCHEMBL95932

[CH2]c1ccc(C(=O)Nc2ccc(SC)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 1/20 0.56
TNF P01375 2/20 0.56
NPC1 O15118 5/20 0.53
RAB9A P51151 5/20 0.53
MMP2 P08253 1/20 0.52
MMP9 P14780 1/20 0.52
TRPV1 Q8NER1 1/20 0.49
SMN1; SMN2 Q16637 4/20 0.49
LMNA P02545 3/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
TP53 P04637 1/20 0.49
ALOX15 P16050 1/20 0.49
POLB P06746 1/20 0.49
PKM P14618 1/20 0.49
APEX1 P27695 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
NOD2 Q9HC29 1/20 0.48
NOD1 Q9Y239 1/20 0.48
HTT P42858 1/20 0.48

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
SCHEMBL25812122 0.85 RAB9A (0.76) PLK1TNFNPC1RAB9AMMP2
SCHEMBL23977686 0.85 POLB (0.59) PLK1TNFNPC1RAB9AMMP2
SCHEMBL2244112 0.83 NPC1 (0.64) PLK1TNFNPC1RAB9ASMN1; SMN2
SCHEMBL2563371 0.83 NPC1 (0.66) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL7292377 0.82 TRPV1 (0.71) NPC1RAB9ATRPV1SMN1; SMN2LMNA
SCHEMBL95529 0.81 SMN1; SMN2 (0.66) NPC1RAB9ASMN1; SMN2LMNAMEN1
SCHEMBL95844 0.81 RAB9A (0.81) NPC1RAB9ASMN1; SMN2LMNAMEN1
SCHEMBL95456 0.81 NPC1 (0.58) NPC1RAB9ASMN1; SMN2LMNAMEN1
SCHEMBL94598 0.81 KMT2A (0.59) NPC1RAB9ASMN1; SMN2LMNAMEN1
SCHEMBL94356 0.81 CACNA1B (0.71) NPC1RAB9ASMN1; SMN2LMNAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8362252-B2 Carbostyril compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-01-29 US disclosed
EP-1797082-B1 CARBOSTYRIL COMPOUND OTSUKA PHARMA CO LTD (JP) 2012-08-29 EP disclosed
EP-2426128-A1 Carbostyril compound Otsuka Pharmaceutical Co., Limited (JP) 2012-03-07 EP disclosed
US-20100261705-A1 CARBOSTYRIL COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. 2010-10-14 US disclosed
US-7777038-B2 Carbostyril compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-08-17 US disclosed
US-20090326008-A1 NF-kappa B Inhibitor OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2009-12-31 US disclosed
CN-101489555-A Nf-kappa OTSUKA PHARMA CO LTD (JP) 2009-07-22 CN disclosed
EP-2043644-A1 NF- B INHIBITOR Otsuka Pharmaceutical Co., Ltd. (JP) 2009-04-08 EP disclosed
WO-2008010601-A1 NF- ϰB INHIBITOR OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2008-01-24 WO disclosed
WO-2007119600-A1 CARBAZOLE COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-10-25 WO disclosed
US-20070179173-A1 Carbostyril compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-02 US disclosed
EP-1797082-A1 CARBOSTYRIL COMPOUND Otsuka Pharmaceutical Company, Limited (JP) 2007-06-20 EP disclosed
WO-2006035954-A1 CARBOSTYRIL COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-04-06 WO 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 (3 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-20090326008-A1 NF-kappa B Inhibitor NFKBIA, NFKB2, IKBKB PLK1 2345/4885TNF 26/4885NPC1 2361/4885
US-20070179173-A1 Carbostyril compound GTF2F1, F3, GTF2F2 PLK1 4645/4885TNF 908/4885NPC1 2922/4885
US-20100261705-A1 CARBOSTYRIL COMPOUND GTF2F1, F3, GTF2F2 PLK1 4645/4885TNF 908/4885NPC1 2922/4885

“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.