Pd-117558

Pd-117558

SCHEMBL8922444

CCNCC1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2F)C1

nearest known ligand 0.68

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 6/20 0.65
ALDH1A1 P00352 6/20 0.58
POLB P06746 3/20 0.58
OPRM1 P35372 2/20 0.58
CHRM2 P08172 1/20 0.58
CHRM1 P11229 1/20 0.58
OPRD1 P41143 1/20 0.58
KDM4E B2RXH2 5/20 0.54
HPGD P15428 4/20 0.54
HSD17B10 Q99714 3/20 0.54
TDP1 Q9NUW8 2/20 0.54
PRKD3 O94806 1/20 0.54
ALOX15 P16050 1/20 0.54
CLK2 P49760 1/20 0.54
CLK4 Q9HAZ1 1/20 0.54
TOP2A P11388 5/20 0.52
TOP2B Q02880 5/20 0.52
LMNA P02545 2/20 0.51
PMP22 Q01453 1/20 0.51
NPSR1 Q6W5P4 1/20 0.50

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
Pd-117558 SCHEMBL10529381 0.99 KCNH2 (0.64) KCNH2ALDH1A1POLBOPRM1CHRM2
SCHEMBL10676308 0.96 KCNH2 (0.61) KCNH2ALDH1A1POLBOPRM1CHRM2
SCHEMBL10678011 0.96 KCNH2 (0.61) KCNH2ALDH1A1POLBOPRM1CHRM2
SCHEMBL10680589 0.96 KCNH2 (0.60) KCNH2ALDH1A1POLBOPRM1CHRM2
SCHEMBL9666622 0.94 KCNH2 (0.58) KCNH2ALDH1A1POLBOPRM1CHRM2
SCHEMBL10574861 0.93 KCNH2 (0.70) KCNH2ALDH1A1POLBOPRM1CHRM2
Hydrochloric Acid SCHEMBL10530523 0.92 KCNH2 (0.62) KCNH2ALDH1A1POLBOPRM1CHRM2
SCHEMBL10530717 0.92 KCNH2 (0.64) KCNH2ALDH1A1POLBOPRM1CHRM2
SCHEMBL10530714 0.92 ALDH1A1 (0.70) KCNH2ALDH1A1POLBOPRM1CHRM2
Hydrochloric Acid SCHEMBL10573776 0.92 KCNH2 (0.69) KCNH2ALDH1A1POLBOPRM1CHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0236673-B1 Process for quinoline-3-carboxylic acid antibacterial agents WARNER LAMBERT CO (US) 1994-07-13 EP claimed
EP-0235589-B1 USE OF QUINOLONE AND NAPHTHYRIDINE ANTIBIOTICS FOR THE MANUFACTURE OF OPHTHALMIC MEDICAMENTS WARNER-LAMBERT COMPANY (US) 1992-10-28 EP claimed
EP-0198678-B1 A PROCESS FOR PREPARING SUBSTITUTED QUINOLINE-3-CARBOXYLIC ACIDS WARNER-LAMBERT COMPANY (US) 1991-08-21 EP claimed
EP-0200307-B1 IMPROVED PROCESS FOR PRODUCTION OF QUINOLINE-3-CARBOXYLIC ACID ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY (US) 1989-12-20 EP claimed
US-4772706-A Process for quinoline-3-carboxylic acid antibacterial agents WARNER-LAMBERT COMPANY (US) 1988-09-20 US claimed
EP-0236673-A2 Process for quinoline-3-carboxylic acid antibacterial agents WARNER-LAMBERT COMPANY (US) 1987-09-16 EP claimed
EP-0235589-A2 Use of quinolone and naphthyridine antibiotics for the manufacture of ophthalmic medicaments WARNER-LAMBERT COMPANY (US) 1987-09-09 EP claimed
US-4692454-A Opthalmic use of quinolone antibiotics WARNER-LAMBERT COMPANY (US) 1987-09-08 US claimed
US-4665079-A QUINOLINE DERIVATIVES WARNER-LAMBERT COMPANY (US) 1987-05-12 US claimed
EP-0200307-A1 Improved process for production of quinoline-3-carboxylic acid antibacterial agents WARNER-LAMBERT COMPANY (US) 1986-11-05 EP claimed
EP-0198678-A2 A process for preparing substituted quinoline-3-carboxylic acids WARNER-LAMBERT COMPANY (US) 1986-10-22 EP claimed
US-4578473-A Process for quinoline-3-carboxylic acid antibacterial agents WARNER-LAMBERT COMPANY (US) 1986-03-25 US claimed
EP-0153163-A2 7-Substituted-1-cyclopropyl-6,8-difluoro-1,4-dihydro-4-oxo-3-quinolinecarboxylic acids; 7-substituted-1-cyclopropyl-1,4-dihydro-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acids; their derivatives; and a process for preparing the compounds WARNER-LAMBERT COMPANY (US) 1985-08-28 EP claimed
EP-2293778-B1 COMPOSITION COMPRISING AN ANTIBIOTIC AND MOMETASONE INTERVET INT BV (NL) 2013-09-18 EP disclosed
US-20120046259-A1 COMPOSITION COMPRISING AN ANTIBIOTIC AND A CORTICOSTEROID INTERVET INC. 2012-02-23 US disclosed
US-20120046259-A1 COMPOSITION COMPRISING AN ANTIBIOTIC AND A CORTICOSTEROID INTERVET INC. 2012-02-23 US disclosed
EP-0200307-A1 Improved process for production of quinoline-3-carboxylic acid antibacterial agents WARNER-LAMBERT COMPANY (US) 1986-11-05 EP disclosed
EP-0198678-A2 A process for preparing substituted quinoline-3-carboxylic acids WARNER-LAMBERT COMPANY (US) 1986-10-22 EP disclosed
US-4578473-A Process for quinoline-3-carboxylic acid antibacterial agents WARNER-LAMBERT COMPANY (US) 1986-03-25 US disclosed
EP-0153163-A2 7-Substituted-1-cyclopropyl-6,8-difluoro-1,4-dihydro-4-oxo-3-quinolinecarboxylic acids; 7-substituted-1-cyclopropyl-1,4-dihydro-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acids; their derivatives; and a process for preparing the compounds WARNER-LAMBERT COMPANY (US) 1985-08-28 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 (1 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-20120046259-A1 COMPOSITION COMPRISING AN ANTIBIOTIC AND A CORTICOSTEROID CYP21A2, CYP27A1, NR3C2 KCNH2 2951/4885ALDH1A1 1287/4885POLB 196/4885

“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.