SCHEMBL500455

SCHEMBL500455

O=C(O)c1cn([C@@H]2C[C@@H]2F)c2c(F)c(F)c(F)cc2c1=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 8/20 0.53
TOP2B Q02880 8/20 0.53
KDM4E B2RXH2 8/20 0.48
ALDH1A1 P00352 4/20 0.48
POLB P06746 3/20 0.48
HSP90AA1 P07900 1/20 0.48
RXFP1 Q9HBX9 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.46
CYP1A2 P05177 1/20 0.46
CHRM2 P08172 1/20 0.45
CHRM1 P11229 1/20 0.45
OPRM1 P35372 1/20 0.45
OPRD1 P41143 1/20 0.45
KMT2A Q03164 1/20 0.43
LMNA P02545 1/20 0.43
HPGD P15428 2/20 0.43
HSD17B10 Q99714 2/20 0.43
ALB P02768 1/20 0.43
HRH3 Q9Y5N1 1/20 0.43
TUBB4A P04350 1/20 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
SCHEMBL7607382 1.00 TOP2A (0.53) TOP2ATOP2BKDM4EALDH1A1POLB
SCHEMBL9096661 1.00 TOP2A (0.53) TOP2ATOP2BKDM4EALDH1A1POLB
SCHEMBL9097687 0.89 TOP2A (0.46) TOP2ATOP2BKDM4EALDH1A1POLB
SCHEMBL8138702 0.89 TOP2A (0.46) TOP2ATOP2BKDM4EALDH1A1POLB
SCHEMBL8137973 0.89 TOP2A (0.46) TOP2ATOP2BKDM4EALDH1A1POLB
SCHEMBL10330769 0.89 TOP2A (0.53) TOP2ATOP2BKDM4EALDH1A1POLB
SCHEMBL3391642 0.89 TOP2A (0.50) TOP2ATOP2BKDM4EALDH1A1POLB
SCHEMBL7510943 0.89 TOP2A (0.50) TOP2ATOP2BKDM4EALDH1A1POLB
SCHEMBL967193 0.89 ALDH1A1 (0.53) TOP2ATOP2BKDM4EALDH1A1POLB
SCHEMBL8139046 0.89 TOP2A (0.50) TOP2ATOP2BKDM4EALDH1A1POLB

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 32 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
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-0603887-B1 Bicyclic amine derivatives DAIICHI SEIYAKU CO (JP) 2003-10-01 EP disclosed
US-6432948-B1 ANTIULCER AGENTS BAYER AKTIENGESELLSCHAFT (DE) 2002-08-13 US disclosed
EP-0704443-B1 Quinolone and naphthyridone carboxylic acid derivatives BAYER AG (DE) 2000-12-27 EP disclosed
US-5621105-A REACTING HALO-SUBSTITUTED QUINOLONECARBOXYLIC ACID OR NAPHTHYRIDONECARBOXYLIC ACID WITH 1-AMINOMETHYL-2-OXA-7-AZABICYCLO/3.3.0/OCTANE BAYER AKTIENGESELLSCHAFT (DE) 1997-04-15 US disclosed
US-5605910-A BACTERICIDES BAYER AKTIENGESELLSCHAFT (DE) 1997-02-25 US disclosed
US-5574161-A GRAMPOSITIVE BACTERICIDE BAYER AKTIENGESELLSCHAFT (DE) 1996-11-12 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
US-5395944-A Bactericides BAYER AKTIENGESELLSCHAFT (DE) 1995-03-07 US disclosed
EP-0603887-A2 Bicyclic amine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1994-06-29 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 TOP2A 138/4885TOP2B 219/4885KDM4E 1507/4885
US-20060281779-A1 7-(4-Substituted-3-cyclopropylaminomethyl-1 pyrrolidinyl) quinolonecarboxylic acid derivative RPS27L, RPS7, RPSA TOP2A 171/4885TOP2B 308/4885KDM4E 1345/4885

“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.