SCHEMBL95529

SCHEMBL95529

[CH2]c1ccc(C(=O)Nc2cccc(SC)c2)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.66
RAB9A P51151 3/20 0.66
NPC1 O15118 3/20 0.66
LMNA P02545 1/20 0.66
MEN1 O00255 6/20 0.62
KMT2A Q03164 6/20 0.62
CYP1A2 P05177 3/20 0.62
CYP2D6 P10635 3/20 0.62
CYP2C9 P11712 3/20 0.62
CYP2C19 P33261 3/20 0.62
TP53 P04637 2/20 0.61
TSHR P16473 1/20 0.61
NPSR1 Q6W5P4 1/20 0.61
NR1H4 Q96RI1 1/20 0.59
MAPT P10636 4/20 0.57
POLB P06746 2/20 0.57
MAPK1 P28482 1/20 0.57
HSD17B10 Q99714 1/20 0.57
RECQL P46063 1/20 0.57
GRM4 Q14833 1/20 0.57

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
SCHEMBL30926970 0.92 SMN1; SMN2 (0.74) SMN1; SMN2RAB9ANPC1LMNAMEN1
SCHEMBL27181188 0.92 SMN1; SMN2 (0.74) SMN1; SMN2RAB9ANPC1LMNAMEN1
SCHEMBL7748130 0.86 SMN1; SMN2 (0.71) SMN1; SMN2RAB9ANPC1LMNAMEN1
SCHEMBL21133263 0.82 KCNK3 (0.66) SMN1; SMN2RAB9ANPC1LMNAMEN1
SCHEMBL95932 0.81 PLK1 (0.56) SMN1; SMN2RAB9ANPC1LMNAMEN1
SCHEMBL8710646 0.81 RAB9A (0.60) SMN1; SMN2RAB9ANPC1LMNAMEN1
SCHEMBL94608 0.80 RAB9A (0.72) RAB9ANPC1MEN1KMT2ATP53
SCHEMBL23309731 0.77 MEN1 (0.60) SMN1; SMN2RAB9ANPC1LMNAMEN1
SCHEMBL95403 0.77 NPC1 (0.73) SMN1; SMN2RAB9ANPC1MEN1KMT2A
SCHEMBL8714767 0.77 MEN1 (0.71) SMN1; SMN2RAB9ANPC1LMNAMEN1

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 14 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-2007119600-A9 CARBAZOLE COMPOUND OTSUKA PHARMA CO LTD (JP) 2008-05-02 WO 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 SMN1; SMN2 3998/4885RAB9A 3886/4885NPC1 2361/4885
US-20070179173-A1 Carbostyril compound GTF2F1, F3, GTF2F2 SMN1; SMN2 3084/4885RAB9A 2273/4885NPC1 2922/4885
US-20100261705-A1 CARBOSTYRIL COMPOUND GTF2F1, F3, GTF2F2 SMN1; SMN2 3084/4885RAB9A 2273/4885NPC1 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.