Sugi Predict

Sugi Predict / Compounds / SCHEMBL3136282

SCHEMBL3136282

SCHEMBL3136282

Cc1c(F)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TOP2A P11388 8/20 0.66
▸ TOP2B Q02880 8/20 0.66
▸ KCNH2 Q12809 5/20 0.62
▸ ALDH1A1 P00352 5/20 0.57
▸ POLB P06746 2/20 0.57
▸ OPRM1 P35372 2/20 0.57
▸ CHRM2 P08172 1/20 0.57
▸ CHRM1 P11229 1/20 0.57
▸ OPRD1 P41143 1/20 0.57
▸ KDM4E B2RXH2 4/20 0.52
▸ HPGD P15428 3/20 0.52
▸ HSD17B10 Q99714 3/20 0.52
▸ PRKD3 O94806 1/20 0.52
▸ ALOX15 P16050 1/20 0.52
▸ CLK2 P49760 1/20 0.52
▸ CLK4 Q9HAZ1 1/20 0.52
▸ TDP1 Q9NUW8 1/20 0.52
▸ LMNA P02545 2/20 0.51
▸ CYP1A2 P05177 1/20 0.51
▸ CYP2C9 P11712 1/20 0.51

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
SCHEMBL3984286 0.96 TOP2A (0.62) TOP2ATOP2BKCNH2ALDH1A1POLB
SCHEMBL2184237 0.96 TOP2A (0.62) TOP2ATOP2BKCNH2ALDH1A1POLB
SCHEMBL10625970 0.90 TOP2A (0.61) TOP2ATOP2BKCNH2ALDH1A1POLB
SCHEMBL10330765 0.90 TOP2A (0.69) TOP2ATOP2BKCNH2ALDH1A1POLB
SCHEMBL9272261 0.89 TOP2A (0.54) TOP2ATOP2BKCNH2ALDH1A1POLB
SCHEMBL500719 0.88 TOP2A (0.71) TOP2ATOP2BKCNH2ALDH1A1POLB
SCHEMBL29463823 0.88 TOP2A (0.71) TOP2ATOP2BKCNH2ALDH1A1POLB
SCHEMBL10330766 0.88 ALDH1A1 (0.63) TOP2ATOP2BKCNH2ALDH1A1POLB
SCHEMBL500386 0.88 ALDH1A1 (0.66) TOP2ATOP2BKCNH2ALDH1A1POLB
SCHEMBL29962586 0.88 ALDH1A1 (0.66) TOP2ATOP2BKCNH2ALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1882689-B1 TRI- OR TETRA-SUBSTITUTED-3-AMINOPYRROLIDINE DERIVATIVES DAIICHI SANKYO CO LTD (JP) 2013-07-10 — — EP disclosed
EP-1730154-B1 RIFAMYCIN DERIVATIVES EFFECTIVE AGAINST DRUG-RESISTANT MICROBES CUMBRE IP VENTURES L P (US) 2012-10-17 — — EP disclosed
US-8252783-B2 Quinolone carboxylic acids, derivatives thereof, and methods of making and using same BAUSCH & LOMB INCORPORATED (US) 2012-08-28 — — US disclosed
US-8227597-B2 Quinolone carboxylic acids, derivatives thereof, and methods of making and using same BAUSCH & LOMB INCORPORATED (US) 2012-07-24 — — US disclosed
US-20120157447-A1 Quinolone Carboxylic Acids, Derivatives Thereof, and Methods of Making and Using Same BAUSCH HEALTH, CANADA INC. / SANTE BAUSCH, CANADA INC. (CA) 2012-06-21 — — US disclosed
EP-2463274-A1 Tri-or tetra-substituted-3-aminopyrrolidine deritatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-06-13 — — EP disclosed
EP-1857453-B1 FLUOROALKYLPYRROLIDINE DERIVATIVES DAIICHI SANKYO CO LTD (JP) 2010-12-29 — — EP disclosed
WO-2010056633-A2 7-AMINO ALKYLIDENYL-HETEROCYCLIC QUINOLONES AND NAPHTHYRIDONES JANSSEN PHARMACEUTICA NV (BE) 2010-05-20 — — WO disclosed
US-20100029936-A1 Quinolone Carboxylic Acids, Derivatives Thereof, and Methods of Making and Using Same BAUSCH+LOMB OPS B.V. (NL) 2010-02-04 — — US disclosed
US-20090156577-A1 7-AMINO ALKYLIDENYL-HETEROCYCLIC QUINOLONES AND NAPHTHYRIDONES JANSSEN PHARMACEUTICA NV (BE) 2009-06-18 — — US disclosed
EP-0401623-A1 Process for the preparation of 7-(3-amino- and 3-aminomethyl-1-pyrrolidinyl)-3-quinolinonecarboxylic and -naphthyridinonecarboxylic acids BAYER AG (DE) 1990-12-12 — — EP disclosed
US-4935420-A MICROBIOCIDES, ANTISEPTICS OTSUKA PHARMACEUTICAL COMPANY, LTD. (JP) 1990-06-19 — — US disclosed
EP-0357047-A1 Spiro compounds DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1990-03-07 — — EP disclosed
EP-0350733-A2 7-(1-Pyrrolidinyl)-3-quinolone- and -naphthyridone-carboxylic-acid derivatives, method for their preparation and for substituted mono- and bi-cyclic pyrrolidine intermediates, and their antibacterial and feed additive compositions BAYER AG (DE) 1990-01-17 — — EP disclosed
US-4894458-A BACTERICIDES KYORIN PHARMACEUTICAL CO., LTD. (JP) 1990-01-16 — — US disclosed
US-4880806-A BACTERICIDES OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1989-11-14 — — US disclosed
US-4874764-A ANTIMICROBIALS OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1989-10-17 — — US disclosed
US-4855292-A ANTIMICROBIAL AGENTS OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1989-08-08 — — US disclosed
EP-0237955-A2 Quinolonecarboxylic acid derivatives and their preparation KYORIN PHARMACEUTICAL CO., LTD. (JP) 1987-09-23 — — EP disclosed
EP-0230274-A2 Derivatives of 7-(azabicycloalkyl)-quinoloncarboxylic acid and -naphthyridoncarboxylic acid BAYER AG (DE) 1987-07-29 — — 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 (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-20100029936-A1 Quinolone Carboxylic Acids, Derivatives Thereof, and Methods of Making and Using Same NQO2, QARS1, QPCT TOP2A 175/4885TOP2B 202/4885KCNH2 3108/4885
US-20090156577-A1 7-AMINO ALKYLIDENYL-HETEROCYCLIC QUINOLONES AND NAPHTHYRIDONES NQO2, QRFPR, NQO1 TOP2A 389/4885TOP2B 359/4885KCNH2 519/4885
US-20120157447-A1 Quinolone Carboxylic Acids, Derivatives Thereof, and Methods of Making and Using Same NQO2, QARS1, QPCT TOP2A 212/4885TOP2B 279/4885KCNH2 3196/4885

“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.