SCHEMBL4476600

SCHEMBL4476600

CCOC(=O)c1cn(C2CC2)c2c(Cl)c(F)c(Br)cc2c1=O

nearest known ligand 0.70

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.55
ALDH1A1 P00352 1/20 0.45
POLB P06746 1/20 0.45
CHRM2 P08172 1/20 0.45
CHRM1 P11229 1/20 0.45
OPRM1 P35372 1/20 0.45
OPRD1 P41143 1/20 0.45
TOP2A P11388 5/20 0.43
TOP2B Q02880 5/20 0.43
STAT3 P40763 2/20 0.43
KMT2A Q03164 2/20 0.41
LMNA P02545 1/20 0.41
KCNH2 Q12809 2/20 0.41
HTT P42858 1/20 0.40

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
SCHEMBL7575069 0.90 ADRB2 (0.61) ADRB2ALDH1A1POLBCHRM2CHRM1
SCHEMBL10472998 0.90 ADRB2 (0.57) ADRB2ALDH1A1POLBCHRM2CHRM1
SCHEMBL4564641 0.90 ADRB2 (0.57) ADRB2ALDH1A1POLBCHRM2CHRM1
SCHEMBL7584091 0.88 ADRB2 (0.57) ADRB2ALDH1A1POLBCHRM2CHRM1
SCHEMBL6275959 0.85 ADRB2 (0.44) ADRB2ALDH1A1POLBCHRM2CHRM1
SCHEMBL5704396 0.85 ADRB2 (0.64) ADRB2ALDH1A1POLBCHRM2CHRM1
SCHEMBL6177904 0.85 ADRB2 (0.45) ADRB2ALDH1A1POLBCHRM2CHRM1
SCHEMBL1003852 0.84 POLB (0.52) ADRB2ALDH1A1POLBCHRM2CHRM1
SCHEMBL7504273 0.84 ADRB2 (0.47) ADRB2ALDH1A1POLBCHRM2CHRM1
SCHEMBL7599453 0.84 ADRB2 (0.65) ADRB2ALDH1A1TOP2ATOP2BSTAT3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7482454-B2 Antimicrobial quinolones, their compositions, and uses THE PROCTER & GAMBLE COMPANY (US) 2009-01-27 US disclosed
US-20060100436-A1 Antimicrobial quinolones, their compositions, and uses WARNER CHILCOTT COMPANY, LLC 2006-05-11 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-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-6329391-B1 ANTIBIOTICS, BACTERICIDES USING QUINOLONES THE PROCTER & GAMBLE CO. 2001-12-11 US disclosed
EP-1015445-A1 ANTIMICROBIAL QUINOLONES, THEIR COMPOSITIONS AND USES THE PROCTER & GAMBLE COMPANY (US) 2000-07-05 EP disclosed
WO-1999014214-A1 ANTIMICROBIAL QUINOLONES, THEIR COMPOSITIONS AND USES THE PROCTER & GAMBLE COMPANY (US) 1999-03-25 WO 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-20060100436-A1 Antimicrobial quinolones, their compositions, and uses Q6ZSR9, RECQL, QARS1 ADRB2 2703/4885ALDH1A1 2880/4885POLB 1857/4885
US-20040038975-A1 Antimicrobial quinolones, their compositions and uses QARS1, NQO2, Q6ZSR9 ADRB2 2970/4885ALDH1A1 2739/4885POLB 210/4885

“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.