SCHEMBL500694

SCHEMBL500694

O=C(O)c1cn([C@@H]2C[C@@H]2F)c2cc(F)c(F)cc2c1=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.51
ALDH1A1 P00352 6/20 0.51
TOP2A P11388 4/20 0.51
TOP2B Q02880 4/20 0.51
LMNA P02545 3/20 0.51
HPGD P15428 3/20 0.51
HSD17B10 Q99714 3/20 0.51
CYP1A2 P05177 2/20 0.51
CYP2C9 P11712 1/20 0.51
MAPT P10636 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.44
POLB P06746 1/20 0.42
CHRM2 P08172 1/20 0.42
CHRM1 P11229 1/20 0.42
OPRM1 P35372 1/20 0.42
OPRD1 P41143 1/20 0.42
PIK3CG P48736 3/20 0.42
PIK3CD O00329 2/20 0.42
PIK3R1 P27986 2/20 0.42
PIK3CA P42336 2/20 0.42

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
SCHEMBL6662420 1.00 KDM4E (0.51) KDM4EALDH1A1TOP2ATOP2BLMNA
SCHEMBL9096418 1.00 KDM4E (0.51) KDM4EALDH1A1TOP2ATOP2BLMNA
SCHEMBL28334480 0.90 KDM4E (0.47) KDM4EALDH1A1TOP2ATOP2BLMNA
SCHEMBL10330768 0.90 KDM4E (0.48) KDM4EALDH1A1TOP2ATOP2BLMNA
SCHEMBL2081775 0.84 KDM4E (0.44) KDM4EALDH1A1TOP2ATOP2BLMNA
SCHEMBL27533526 0.84 KDM4E (0.44) KDM4EALDH1A1TOP2ATOP2BLMNA
SCHEMBL2081773 0.84 KDM4E (0.44) KDM4EALDH1A1TOP2ATOP2BLMNA
SCHEMBL6166633 0.84 KDM4E (0.48) KDM4EALDH1A1TOP2ATOP2BLMNA
SCHEMBL27493871 0.84 KDM4E (0.48) KDM4EALDH1A1TOP2ATOP2BLMNA
SCHEMBL6166631 0.84 KDM4E (0.48) KDM4EALDH1A1TOP2ATOP2BLMNA

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 34 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1666477-B1 7-(4-SUBSTITUTED 3- CYCLOPROPYLAMINOMETHYL-1- PYRROLIDINYL) Q UINOLONECARBOXYLIC ACID DERIVATIVE KYORIN SEIYAKU KK (JP) 2013-07-03 EP disclosed
US-8106072-B2 7- (4-substituted-3-cyclopropylaminomethyl-1-pyrrolidinyl) quinolonecarboxylic acid derivative KYORIN PHARMACEUTICAL CO., LTD. (JP) 2012-01-31 US disclosed
US-20090176824-A1 7- (4-substituted-3-cyclopropylaminomethyl-1-pyrrolidinyl) quinolonecarboxylic acid derivative technical field ASAHINA YOSHIKAZU 2009-07-09 US disclosed
US-7514451-B2 7-(4-Substituted-3-cyclopropylaminomethyl-1 pyrrolidinyl) quinolonecarboxylic acid derivative KYORIN PHARMACEUTICAL CO., LTD. (JP) 2009-04-07 US disclosed
EP-1304329-B1 Pyridonecarboxylic acid derivatives and their use as antibacterial agents DAIICHI SANKYO CO LTD (JP) 2008-10-15 EP disclosed
EP-1304329-B1 Pyridonecarboxylic acid derivatives and their use as antibacterial agents DAIICHI SANKYO CO LTD (JP) 2008-10-15 EP disclosed
US-20060281779-A1 7-(4-Substituted-3-cyclopropylaminomethyl-1 pyrrolidinyl) quinolonecarboxylic acid derivative KYORIN PHARMACEUTICAL CO., LTD. (JP) 2006-12-14 US disclosed
EP-1666477-A1 7-(4-SUBSTITUTED 3- CYCLOPROPYLAMINOMETHYL-1- PYRROLIDINYL) Q UINOLONECARBOXYLIC ACID DERIVATIVE Kyorin Pharmaceutical Co., Ltd. (JP) 2006-06-07 EP disclosed
EP-1304329-A2 Pyridonecarboxylic acid derivatives and their use as antibacterial agents DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2003-04-23 EP disclosed
US-6432948-B1 ANTIULCER AGENTS BAYER AKTIENGESELLSCHAFT (DE) 2002-08-13 US disclosed
US-5679689-A BACTERICIDES BAYER AKTIENGESELLSCHAFT (DE) 1997-10-21 US disclosed
US-5605910-A BACTERICIDES BAYER AKTIENGESELLSCHAFT (DE) 1997-02-25 US disclosed
US-5545642-A BACTERICIDES BAYER AKTIENGESELLSCHAFT (DE) 1996-08-13 US disclosed
EP-0721948-A1 Quinolone- and naphthyridone carboxylic acid derivatives as antibacterial agents BAYER AG (DE) 1996-07-17 EP disclosed
EP-0705828-A1 Quinolone- and naphthyridone carboxylic acid derivatives as antibacterial agents BAYER AG (DE) 1996-04-10 EP disclosed
EP-0704443-A2 Quinolone and naphthyridone carboxylic acid derivatives BAYER AG (DE) 1996-04-03 EP disclosed
WO-1996001262-A1 NOVEL QUINOLINE COMPOUND AND PROCESS FOR PREPARATION THEREOF HANMI PHARMACEUTICAL CO., LTD. (KR) 1996-01-18 WO disclosed
EP-0191185-B1 QUINOLINE-CARBOXYLIC ACID DERIVATIVES DAIICHI SEIYAKU CO., LTD. (JP) 1990-03-07 EP disclosed
US-4871852-A BACTERICIDES AGAINST GRAMNEGATIVE AND GRAMPOSITIVE DAIICHI SEIYAKU CO., LTD. (JP) 1989-10-03 US disclosed
EP-0191185-A1 Quinoline-carboxylic acid derivatives DAIICHI SEIYAKU CO., LTD. (JP) 1986-08-20 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-20090176824-A1 7- (4-substituted-3-cyclopropylaminomethyl-1-pyrrolidinyl) quinolonecarboxylic acid derivative technical field CLPP, PRSS1, FOSB KDM4E 1507/4885ALDH1A1 2406/4885TOP2A 138/4885
US-20060281779-A1 7-(4-Substituted-3-cyclopropylaminomethyl-1 pyrrolidinyl) quinolonecarboxylic acid derivative RPS27L, RPS7, RPSA KDM4E 1345/4885ALDH1A1 2601/4885TOP2A 171/4885

“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.