SCHEMBL171247

SCHEMBL171247

COc1ccc(/C=C2/SC(=O)N(C)C2=O)c2ccc(=O)n(C)c12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 4/20 0.53
CGAS Q8N884 8/20 0.51
KMT2A Q03164 5/20 0.51
MEN1 O00255 4/20 0.51
ALDH1A1 P00352 3/20 0.51
MAPT P10636 1/20 0.51
MCOLN3 Q8TDD5 1/20 0.51
KDM4E B2RXH2 2/20 0.45
HTT P42858 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
CISD1 Q9NZ45 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
NPC1 O15118 2/20 0.41

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
SCHEMBL171248 1.00 PTPN1 (0.53) PTPN1CGASKMT2AMEN1ALDH1A1
SCHEMBL2972746 0.80 PTPN1 (0.55) PTPN1KMT2AMEN1NPC1RAB9A
SCHEMBL2972743 0.80 PTPN1 (0.55) PTPN1KMT2AMEN1NPC1RAB9A
SCHEMBL97528 0.76 CYP19A1 (0.49) ALDH1A1MAPTKDM4EHTTTDP1
SCHEMBL14438070 0.71 CYP19A1 (0.61) ALDH1A1MAPTKDM4EHTTSMN1; SMN2
SCHEMBL23094782 0.70 CGAS (0.66) PTPN1CGASKMT2AMEN1ALDH1A1
SCHEMBL23094541 0.68 CGAS (1.00) PTPN1CGASKMT2AMEN1ALDH1A1
SCHEMBL23094482 0.67 CGAS (0.78) PTPN1CGAS
SCHEMBL23094731 0.67 CGAS (0.76) PTPN1CGASKMT2AMEN1ALDH1A1
SCHEMBL23094519 0.67 CGAS (0.78) PTPN1CGASKMT2AMEN1ALDH1A1

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
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-20070179173-A1 Carbostyril compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-02 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 (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-20070179173-A1 Carbostyril compound GTF2F1, F3, GTF2F2 PTPN1 1691/4885CGAS 2915/4885KMT2A 2732/4885
US-20100261705-A1 CARBOSTYRIL COMPOUND GTF2F1, F3, GTF2F2 PTPN1 1691/4885CGAS 2915/4885KMT2A 2732/4885

“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.