SCHEMBL94811

SCHEMBL94811

[CH2]c1ccc(C(=O)N(C)c2cccc(C)c2)cc1

nearest known ligand 0.71

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 13/20 0.71
HSD17B2 P37059 13/20 0.71
KDM4E B2RXH2 2/20 0.46
LMNA P02545 1/20 0.46
TSHR P16473 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HSD17B10 Q99714 1/20 0.46
HTT P42858 1/20 0.44
KMT2A Q03164 1/20 0.44
SIGMAR1 Q99720 1/20 0.43

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
SCHEMBL21241029 0.89 HSD17B1 (0.83) HSD17B1HSD17B2KDM4ELMNATSHR
SCHEMBL1196968 0.86 HSD17B2 (0.61) HSD17B1HSD17B2KDM4ELMNATSHR
SCHEMBL29940968 0.85 HSD17B2 (0.72) HSD17B1HSD17B2KDM4ELMNATSHR
SCHEMBL10212283 0.85 HSD17B2 (0.72) HSD17B1HSD17B2KDM4ELMNATSHR
SCHEMBL7374140 0.84 HSD17B1 (0.71) HSD17B1HSD17B2KDM4ELMNATSHR
SCHEMBL21620298 0.84 HSD17B1 (0.71) HSD17B1HSD17B2LMNA
SCHEMBL4658072 0.82 HSD17B1 (0.68) HSD17B1HSD17B2HTT
SCHEMBL7376372 0.80 HSD17B1 (0.64) HSD17B1HSD17B2LMNATSHRSMN1; SMN2
SCHEMBL6632095 0.78 HSD17B1 (0.57) HSD17B1HSD17B2KDM4ELMNATSHR
SCHEMBL1195954 0.78 KMT2A (0.54) HSD17B1HSD17B2KDM4ETSHRHTT

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 8 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
WO-2007119600-A9 CARBAZOLE COMPOUND OTSUKA PHARMA CO LTD (JP) 2008-05-02 WO 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 (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 HSD17B1 577/4885HSD17B2 945/4885KDM4E 1125/4885
US-20070179173-A1 Carbostyril compound GTF2F1, F3, GTF2F2 HSD17B1 1375/4885HSD17B2 1421/4885KDM4E 3919/4885
US-20100261705-A1 CARBOSTYRIL COMPOUND GTF2F1, F3, GTF2F2 HSD17B1 1375/4885HSD17B2 1421/4885KDM4E 3919/4885

“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.