SCHEMBL1003852

SCHEMBL1003852

CCOC(=O)c1cn(C2CC2)c2c(Cl)c(F)c([N+](=O)[O-])cc2c1=O

nearest known ligand 0.66

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.52
▸ ADRB2 P07550 1/20 0.52
▸ ALDH1A1 P00352 2/20 0.49
▸ LMNA P02545 1/20 0.49
▸ MAPT P10636 1/20 0.49
▸ NPC1 O15118 1/20 0.48
▸ CHRM2 P08172 1/20 0.42
▸ CHRM1 P11229 1/20 0.42
▸ OPRM1 P35372 1/20 0.42
▸ OPRD1 P41143 1/20 0.42
▸ TOP2A P11388 4/20 0.40
▸ TOP2B Q02880 4/20 0.40
▸ STAT3 P40763 2/20 0.40
▸ KCNH2 Q12809 1/20 0.39
▸ VCAM1 P19320 1/20 0.39

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
SCHEMBL10472998 0.86 ADRB2 (0.57) POLBADRB2ALDH1A1CHRM2CHRM1
SCHEMBL4564641 0.86 ADRB2 (0.57) POLBADRB2ALDH1A1CHRM2CHRM1
SCHEMBL7575069 0.86 ADRB2 (0.61) POLBADRB2ALDH1A1CHRM2CHRM1
SCHEMBL3123309 0.85 ADRB2 (0.54) POLBADRB2ALDH1A1LMNAMAPT
SCHEMBL4476600 0.84 ADRB2 (0.55) POLBADRB2ALDH1A1LMNACHRM2
SCHEMBL3134363 0.83 POLB (0.49) POLBADRB2ALDH1A1LMNAMAPT
SCHEMBL5704396 0.82 ADRB2 (0.64) POLBADRB2ALDH1A1CHRM2CHRM1
SCHEMBL9688340 0.82 ADRB2 (0.45) POLBADRB2ALDH1A1LMNAMAPT
SCHEMBL10473197 0.82 POLB (0.71) POLBADRB2ALDH1A1LMNAMAPT
SCHEMBL8435344 0.81 ADRB2 (0.60) POLBADRB2ALDH1A1CHRM2CHRM1

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7868021-B2 Antimicrobial quinolones, their compositions and uses WARNER CHILCOTT COMPANY, LLC (US) 2011-01-11 — — US disclosed
US-7868021-B2 Antimicrobial quinolones, their compositions and uses WARNER CHILCOTT COMPANY, LLC (US) 2011-01-11 — — US disclosed
US-7868021-B2 Antimicrobial quinolones, their compositions and uses WARNER CHILCOTT COMPANY, LLC (US) 2011-01-11 — — US disclosed
US-20090111851-A1 Antimicrobial Quinolones, Their Compositions and Uses WARNER CHILCOTT COMPANY, LLC 2009-04-30 — — US disclosed
US-20090111851-A1 Antimicrobial Quinolones, Their Compositions and Uses WARNER CHILCOTT COMPANY, LLC 2009-04-30 — — US disclosed
US-20090111851-A1 Antimicrobial Quinolones, Their Compositions and Uses WARNER CHILCOTT COMPANY, LLC 2009-04-30 — — US disclosed
US-7019143-B2 Antimicrobial quinolones, their compositions and uses THE PROCTER & GAMBLE COMPANY (US) 2006-03-28 — — US disclosed
CN-1671690-A Antimicrobial azabicyclic derivatives, compositions and uses thereof PROCTER & GAMBLE (US) 2005-09-21 — — CN disclosed
US-6900224-B2 Antimicrobial quinolones, their compositions and uses THE PROCTER & GAMBLE COMPANY (US) 2005-05-31 — — US disclosed
EP-1532137-A2 ANTIMICROBIAL AZA-BICYCLIC DERIVATES, THEIR COMPOSITIONS AND USES THE PROCTER & GAMBLE COMPANY (US) 2005-05-25 — — EP disclosed
US-20050101589-A1 Antimicrobial quinolones, their compositions and uses WARNER CHILCOTT COMPANY, LLC 2005-05-12 — — US disclosed
US-6849740-B2 Antimicrobial quinolones, their compositions and uses THE PROCTER & GAMBLE COMPANY (US) 2005-02-01 — — US disclosed
US-20040038975-A1 Antimicrobial quinolones, their compositions and uses THE PROCTER & GAMBLE COMPANY 2004-02-26 — — US disclosed
WO-2004014893-A2 ANTIMICROBIAL AZA-BICYCLIC DERIVATES, THEIR COMPOSITIONS AND USES THE PROCTER & GAMBLE COMPANY (US) 2004-02-19 — — WO disclosed
US-20030207862-A1 Antimicrobial quinolones, their compositions and uses THE PROCTER & GAMBLE COMPANY 2003-11-06 — — US disclosed
US-20020173501-A1 Antimicrobial quinolones, their compositions and uses THE PROCTER & GAMBLE COMPANY 2002-11-21 — — US disclosed
US-6387928-B1 BACTERICIDES; SIDE EFFECT REDUCTION THE PROCTER & GAMBLE CO. 2002-05-14 — — US disclosed
US-20020049192-A1 Antimicrobial quinolones, their compositions and uses THE PROCTER & GAMBLE COMPANY 2002-04-25 — — US 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 (6 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-20020049192-A1 Antimicrobial quinolones, their compositions and uses QARS1, TOP1, TOP2A POLB 230/4885ADRB2 3151/4885ALDH1A1 3377/4885
US-20090111851-A1 Antimicrobial Quinolones, Their Compositions and Uses QARS1, NQO2, TOP2A POLB 246/4885ADRB2 3005/4885ALDH1A1 3978/4885
US-20040038975-A1 Antimicrobial quinolones, their compositions and uses QARS1, NQO2, Q6ZSR9 POLB 210/4885ADRB2 2970/4885ALDH1A1 2739/4885
US-20020173501-A1 Antimicrobial quinolones, their compositions and uses QARS1, TOP1, TOP2A POLB 230/4885ADRB2 3151/4885ALDH1A1 3377/4885
US-20030207862-A1 Antimicrobial quinolones, their compositions and uses QARS1, TOP1, TOP2A POLB 230/4885ADRB2 3151/4885ALDH1A1 3377/4885
US-20050101589-A1 Antimicrobial quinolones, their compositions and uses QARS1, NQO2, TOP2A POLB 246/4885ADRB2 3005/4885ALDH1A1 3978/4885

“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.

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