SCHEMBL2081014

SCHEMBL2081014

Cc1c(F)ccc2c(=O)c(C(=O)O)cn(C3CC3)c12

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 8/20 0.56
TOP2B Q02880 8/20 0.56
KCNH2 Q12809 4/20 0.55
ALDH1A1 P00352 4/20 0.47
KDM4E B2RXH2 4/20 0.47
POLB P06746 1/20 0.47
CHRM2 P08172 1/20 0.47
CHRM1 P11229 1/20 0.47
OPRM1 P35372 1/20 0.47
OPRD1 P41143 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
GSK3B P49841 1/20 0.47
LMNA P02545 2/20 0.47
HPGD P15428 2/20 0.47
HSD17B10 Q99714 2/20 0.47
MAPT P10636 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47

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
SCHEMBL4208120 0.96 TOP2A (0.53) TOP2ATOP2BKCNH2ALDH1A1KDM4E
SCHEMBL4747739 0.87 KCNH2 (0.49) TOP2ATOP2BKCNH2ALDH1A1KDM4E
SCHEMBL8084266 0.87 TOP2A (0.64) TOP2ATOP2BKCNH2ALDH1A1KDM4E
SCHEMBL14387521 0.86 KCNH2 (0.46) TOP2ATOP2BKCNH2ALDH1A1KDM4E
SCHEMBL10330771 0.86 TOP2A (0.60) TOP2ATOP2BKCNH2KDM4EPOLB
SCHEMBL143295 0.86 TOP2A (0.60) TOP2ATOP2BKCNH2ALDH1A1KDM4E
SCHEMBL2082062 0.85 CYP3A4 (0.51) TOP2ATOP2BKCNH2KDM4EKMT2A
SCHEMBL27511886 0.85 CYP3A4 (0.51) TOP2ATOP2BKCNH2KDM4EKMT2A
SCHEMBL2082061 0.85 CYP3A4 (0.51) TOP2ATOP2BKCNH2KDM4EKMT2A
SCHEMBL4482132 0.85 ALDH1A1 (0.58) TOP2ATOP2BKCNH2ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1097423-A Quinolone-and naphthyridonecarboxylic acid derivatives BAYER AG (DE) 1995-01-18 CN claimed
EP-0607825-A1 6-H-4-OXO-3-quinoline-carboxylic acids and their analogues as antibacterial agents BAYER AG (DE) 1994-07-27 EP claimed
US-8476429-B2 Tri-, tetra-substituted-3-aminopyrrolidine derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-07-02 US disclosed
US-8476429-B2 Tri-, tetra-substituted-3-aminopyrrolidine derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-07-02 US disclosed
US-20120232288-A1 TRI-, TETRA-SUBSTITUTED-3-AMINOPYRROLIDINE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2012-09-13 US disclosed
US-20120232288-A1 TRI-, TETRA-SUBSTITUTED-3-AMINOPYRROLIDINE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2012-09-13 US disclosed
US-8211910-B2 Tri-, tetra-substituted-3-aminopyrrolidine derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2012-07-03 US disclosed
US-8211910-B2 Tri-, tetra-substituted-3-aminopyrrolidine derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2012-07-03 US disclosed
US-7902226-B2 Dehalogeno-compounds DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2011-03-08 US disclosed
EP-1857453-B1 FLUOROALKYLPYRROLIDINE DERIVATIVES DAIICHI SANKYO CO LTD (JP) 2010-12-29 EP disclosed
US-20090253726-A1 TRI-, TETRA-SUBSTITUTED-3-AMINOPYRROLIDINE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2009-10-08 US disclosed
EP-1336611-B1 DEHALOGENO COMPOUNDS DAIICHI SEIYAKU CO (JP) 2007-09-05 EP disclosed
US-20070123560-A1 Dehalogeno-compounds DAIICHI PHARMACEUTICAL CO., LTD. 2007-05-31 US disclosed
CN-1269817-C Dehalogenated compounds DAIICHI SEIYAKU CO (JP) 2006-08-16 CN disclosed
US-20040063754-A1 Dehalogeno compounds DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-04-01 US disclosed
CN-1486315-A Dehalogenated compounds ��һ��������ҩ��ʽ���� 2004-03-31 CN disclosed
EP-1336611-A1 DEHALOGENO COMPOUNDS DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2003-08-20 EP disclosed
US-5457104-A Antibacterials BAYER AKTIENGESELLSCHAFT (DE) 1995-10-10 US disclosed
CN-1097423-A Quinolone-and naphthyridonecarboxylic acid derivatives BAYER AG (DE) 1995-01-18 CN disclosed
EP-0607825-A1 6-H-4-OXO-3-quinoline-carboxylic acids and their analogues as antibacterial agents BAYER AG (DE) 1994-07-27 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 (4 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-20040063754-A1 Dehalogeno compounds DEK, PGLS, RPS27L TOP2A 376/4885TOP2B 1092/4885KCNH2 1597/4885
US-20090253726-A1 TRI-, TETRA-SUBSTITUTED-3-AMINOPYRROLIDINE DERIVATIVE AAAS, NPEPPS, TEAD4 TOP2A 23/4885TOP2B 69/4885KCNH2 2260/4885
US-20120232288-A1 TRI-, TETRA-SUBSTITUTED-3-AMINOPYRROLIDINE DERIVATIVE TLR5, TEAD4, NAALAD2 TOP2A 43/4885TOP2B 165/4885KCNH2 2584/4885
US-20070123560-A1 Dehalogeno-compounds DEK, RPS27L, POLL TOP2A 228/4885TOP2B 555/4885KCNH2 1059/4885

“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.