SCHEMBL4717954

SCHEMBL4717954

CC1COc2cc(F)cc3c(=O)c(C(=O)O)cn1c23

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.63
SMN1; SMN2 Q16637 1/20 0.63
CYP1A2 P05177 1/20 0.63
KMT2A Q03164 1/20 0.59
TOP2A P11388 4/20 0.58
TOP2B Q02880 4/20 0.58
ALDH1A1 P00352 2/20 0.58
HPGD P15428 2/20 0.58
HSD17B10 Q99714 2/20 0.58
ALB P02768 1/20 0.58
HRH3 Q9Y5N1 1/20 0.58
AADAT Q8N5Z0 2/20 0.57
TUBB4A P04350 1/20 0.57
POLB P06746 1/20 0.57
TUBB P07437 1/20 0.57
TUBA3C P0DPH7 1/20 0.57
TUBA1B P68363 1/20 0.57
TUBA4A P68366 1/20 0.57
TUBB4B P68371 1/20 0.57
TUBB3 Q13509 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
SCHEMBL29433778 1.00 KDM4E (0.63) KDM4ESMN1; SMN2CYP1A2KMT2ATOP2A
SCHEMBL4717957 1.00 KDM4E (0.63) KDM4ESMN1; SMN2CYP1A2KMT2ATOP2A
SCHEMBL11852714 0.87 TOP2A (0.55) KDM4ESMN1; SMN2CYP1A2KMT2ATOP2A
SCHEMBL11858118 0.86 TOP2A (0.55) KDM4ESMN1; SMN2CYP1A2KMT2ATOP2A
SCHEMBL10367411 0.85 KDM4E (0.46) KDM4ESMN1; SMN2CYP1A2KMT2ATOP2A
SCHEMBL11854230 0.85 KDM4E (0.46) KDM4ESMN1; SMN2CYP1A2KMT2ATOP2A
SCHEMBL10516458 0.81 TOP2A (0.53) KDM4ESMN1; SMN2CYP1A2KMT2ATOP2A
SCHEMBL483174 0.81 CNR2 (0.68) KDM4EKMT2ATOP2ATOP2BCNR2
SCHEMBL6167019 0.81 CNR2 (0.68) KDM4EKMT2ATOP2ATOP2BCNR2
SCHEMBL29872315 0.80 KDM4E (0.72) KDM4ESMN1; SMN2CYP1A2KMT2ATOP2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1262477-B1 ANTI-ACID-FAST BACTERIAL AGENTS CONTAINING PYRIDONECARBOXYLIC ACIDS AS THE ACTIVE INGREDIENT DAIICHI SANKYO CO LTD (JP) 2008-09-03 EP claimed
US-20030119848-A1 Anti acid-fast bacterial agent containing pyridonecarboxylic acids as active ingredient DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2003-06-26 US claimed
EP-1262477-A1 ANTI-ACID-FAST BACTERIAL AGENTS CONTAINING PYRIDONECARBOXYLIC ACIDS AS THE ACTIVE INGREDIENT DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2002-12-04 EP claimed
EP-1262477-B1 ANTI-ACID-FAST BACTERIAL AGENTS CONTAINING PYRIDONECARBOXYLIC ACIDS AS THE ACTIVE INGREDIENT DAIICHI SANKYO CO LTD (JP) 2008-09-03 EP disclosed
US-20070191356-A1 Pyridobenzoxazine derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-08-16 US disclosed
US-7176313-B2 Anti acid-fast bacterial agent containing pyridonecarboxylic acids as active ingredient DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-02-13 US disclosed
EP-1712554-A1 PYRIDOBENZOXAZINE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-10-18 EP disclosed
US-20030119848-A1 Anti acid-fast bacterial agent containing pyridonecarboxylic acids as active ingredient DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2003-06-26 US disclosed
EP-1262477-A1 ANTI-ACID-FAST BACTERIAL AGENTS CONTAINING PYRIDONECARBOXYLIC ACIDS AS THE ACTIVE INGREDIENT DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2002-12-04 EP disclosed
EP-1073662-A4 PROCESS FOR PREPARING (-)PYRIDOBENZOXAZINE CARBOXYLIC ACID DERIVATIVES SAMSUNG ELECTRONICS CO LTD (KR) 2002-04-17 EP disclosed
EP-1073662-A1 PROCESS FOR PREPARING (-)PYRIDOBENZOXAZINE CARBOXYLIC ACID DERIVATIVES SAMSUNG ELECTRONICS CO., LTD. (KR) 2001-02-07 EP disclosed
WO-2000050428-A1 PROCESS FOR PREPARING (-)PYRIDOBENZOXAZINE CARBOXYLIC ACID DERIVATIVES SAMSUNG ELECTRONICS CO., LTD. (KR) 2000-08-31 WO disclosed
US-5436253-A Fungicides of 4-oxo-1,4-dihydroquinoline-7-carboxylic acid derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1995-07-25 US disclosed
EP-0172651-B1 Substituted-9-fluoro-3-methyl-7-oxo-2,3-dihydro-7H-pyrido[1,2,3-de][1,4]benzoxazine-6-carboxylic acids; substituted-5-amino-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acids; substituted-5-amino-6-fluoro-1,4-dihydro-4-oxo-1,8-naphthyridine-3-carboxylic acids; derivatives thereof; pharmaceutical compositions comprising the compounds; and processes for producing the compounds WARNER-LAMBERT COMPANY (US) 1990-02-07 EP disclosed
EP-0172651-A1 Substituted-9-fluoro-3-methyl-7-oxo-2,3-dihydro-7H-pyrido[1,2,3-de][1,4]benzoxazine-6-carboxylic acids; substituted-5-amino-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acids; substituted-5-amino-6-fluoro-1,4-dihydro-4-oxo-1,8-naphthyridine-3-carboxylic acids; derivatives thereof; pharmaceutical compositions comprising the compounds; and processes for producing the compounds WARNER-LAMBERT COMPANY (US) 1986-02-26 EP disclosed
EP-0047005-B1 BENZOXAZINE DERIVATIVES DAIICHI SEIYAKU CO., LTD. (JP) 1984-11-14 EP disclosed
US-4382892-A Benzoxazine derivatives DAIICHI SEIYAKU CO., LTD. (JP) 1983-05-10 US disclosed
EP-0047005-A1 Benzoxazine derivatives DAIICHI SEIYAKU CO., LTD. (JP) 1982-03-10 EP 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-20030119848-A1 Anti acid-fast bacterial agent containing pyridonecarboxylic acids as active ingredient PGD, PPA1, FASTKD1 KDM4E 3677/4885SMN1; SMN2 3603/4885CYP1A2 2156/4885
US-20070191356-A1 Pyridobenzoxazine derivative VIP, HAX1, CXXC5 KDM4E 2812/4885SMN1; SMN2 4627/4885CYP1A2 3023/4885

“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.