SCHEMBL97501

SCHEMBL97501

O=[C]COc1ccc(Cl)c(Cl)c1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.49
ALDH1A1 P00352 5/20 0.49
LMNA P02545 1/20 0.49
GRM5 P41594 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.44
MRGPRX4 Q96LA9 1/20 0.43
DAO P14920 1/20 0.42
POLB P06746 1/20 0.41
KCNH2 Q12809 1/20 0.41
HSP90AA1 P07900 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
EGLN1 Q9GZT9 1/20 0.39
GPR84 Q9NQS5 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
SCHEMBL5252631 0.83 DRD3 (0.47) KDM4EALDH1A1LMNAGRM5SMN1; SMN2
SCHEMBL11696997 0.83 HSD17B10 (0.41) KDM4EALDH1A1LMNAGRM5DAO
SCHEMBL10945571 0.80 MAPT (0.41) ALDH1A1SMN1; SMN2MRGPRX4POLBMEN1
SCHEMBL3626897 0.80 GSTP1 (0.49) KDM4EALDH1A1LMNAGRM5SMN1; SMN2
SCHEMBL6819751 0.80 GRM5 (0.47) KDM4EALDH1A1LMNAGRM5SMN1; SMN2
SCHEMBL30752524 0.80 GRM5 (0.47) KDM4EALDH1A1LMNAGRM5SMN1; SMN2
SCHEMBL5253024 0.79 KDM4E (0.53) KDM4EALDH1A1LMNASMN1; SMN2POLB
SCHEMBL5254381 0.79 ALDH1A1 (0.35) KDM4EALDH1A1LMNAGRM5KCNH2
SCHEMBL2170360 0.78 CA12 (0.42) KDM4EALDH1A1LMNAPOLBMEN1
SCHEMBL2088108 0.77 KDM4E (0.49) KDM4EALDH1A1LMNASMN1; SMN2MRGPRX4

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 58 patents — showing the first 20. 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
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
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
EP-0037729-A2 Process for penicillin epimerization ELI LILLY AND COMPANY (US) 1981-10-14 EP disclosed
US-4293495-A Symmetrical azetidinone aldehyde disulfides and process ELI LILLY AND COMPANY (US) 1981-10-06 US disclosed
US-4293493-A Azetidinone alcohol disulfides and process for cyclization ELI LILLY AND COMPANY (US) 1981-10-06 US disclosed
US-4115643-A Process for 3-chloro cephalosporins ELI LILLY AND COMPANY (US) 1978-09-19 US disclosed
US-4060688-A Cephalosporin intermediates ELI LILLY AND COMPANY (US) 1977-11-29 US disclosed
US-4044000-A Substituted β-lactam antibiotics ELI LILLY AND COMPANY (US) 1977-08-23 US disclosed
US-4012380-A 7-Acylamino-3-acyl-2(or 3)cephems ELI LILLY AND COMPANY (US) 1977-03-15 US disclosed
US-4001226-A 3-(SUBSTITUTED)CARBONYLAMINO CEPHEM DERIVATIVES ELI LILLY AND COMPANY (US) 1977-01-04 US disclosed
US-3994885-A WITH ALKALI METAL ALKOXIDE, HALOGENATION ELI LILLY AND COMPANY (US) 1976-11-30 US disclosed
US-3953436-A 3,4-Dicarboxycephalosporins and derivatives ELI LILLY AND COMPANY (US) 1976-04-27 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 KDM4E 1125/4885ALDH1A1 2948/4885LMNA 3740/4885
US-20070179173-A1 Carbostyril compound GTF2F1, F3, GTF2F2 KDM4E 3919/4885ALDH1A1 2458/4885LMNA 4860/4885
US-20100261705-A1 CARBOSTYRIL COMPOUND GTF2F1, F3, GTF2F2 KDM4E 3919/4885ALDH1A1 2458/4885LMNA 4860/4885

“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.