SCHEMBL4558483

SCHEMBL4558483

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

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.58
▸ POLB P06746 2/20 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
▸ TOP2A P11388 9/20 0.55
▸ TOP2B Q02880 9/20 0.55
▸ KDM4E B2RXH2 4/20 0.46
▸ CYP1A2 P05177 2/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ KCNH2 Q12809 3/20 0.46
▸ MEN1 O00255 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ HPGD P15428 2/20 0.44
▸ HSD17B10 Q99714 2/20 0.44
▸ LMNA P02545 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ PRKD3 O94806 1/20 0.44
▸ ALOX15 P16050 1/20 0.44

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
SCHEMBL6217009 0.88 ALDH1A1 (0.60) ALDH1A1POLBOPRM1CHRM2CHRM1
SCHEMBL500386 0.88 ALDH1A1 (0.66) ALDH1A1POLBOPRM1CHRM2CHRM1
SCHEMBL29962586 0.88 ALDH1A1 (0.66) ALDH1A1POLBOPRM1CHRM2CHRM1
SCHEMBL6171288 0.86 TOP2A (0.58) ALDH1A1POLBOPRM1CHRM2CHRM1
Fluoride SCHEMBL5143354 0.86 ALDH1A1 (0.63) ALDH1A1POLBOPRM1CHRM2CHRM1
SCHEMBL5143359 0.85 ALDH1A1 (0.62) ALDH1A1POLBOPRM1CHRM2CHRM1
SCHEMBL4476600 0.84 ADRB2 (0.55) ALDH1A1POLBOPRM1CHRM2CHRM1
Fluoride SCHEMBL6169863 0.84 TOP2A (0.56) ALDH1A1POLBOPRM1CHRM2CHRM1
SCHEMBL9149649 0.83 TOP2A (0.67) ALDH1A1POLBOPRM1CHRM2CHRM1
SCHEMBL6171004 0.83 TOP2A (0.55) ALDH1A1POLBOPRM1CHRM2CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9746770-B2 Thermally developable imaging materials and methods CARESTREAM HEALTH, INC. (US) 2017-08-29 — — US disclosed
US-9523915-B2 Image forming materials, preparations, and compositions CARESTREAM HEALTH, INC. (US) 2016-12-20 — — US disclosed
US-20160357104-A1 THERMALLY DEVELOPABLE IMAGING MATERIALS AND METHODS CARESTREAM HEALTH WORLD HOLDINGS LLC 2016-12-08 — — US disclosed
US-9335623-B2 Thermally developable imaging materials CARESTREAM HEALTH, INC. (US) 2016-05-10 — — US disclosed
US-20160124306-A1 IMAGE FORMING MATERIALS, PREPARATIONS, AND COMPOSITIONS CARESTREAM HEALTH WORLD HOLDINGS LLC 2016-05-05 — — US disclosed
US-20150268550-A1 THERMALLY DEVELOPABLE IMAGING MATERIALS CARESTREAM HEALTH ACQUISITION, LLC 2015-09-24 — — US disclosed
US-7514206-B2 Thermally developable materials with buried conductive backside coatings CARESTREAM HEALTH, INC. (US) 2009-04-07 — — US disclosed
US-7482454-B2 Antimicrobial quinolones, their compositions, and uses THE PROCTER & GAMBLE COMPANY (US) 2009-01-27 — — US disclosed
EP-1910895-B1 THERMALLY DEVELOPABLE MATERIALS WITH ABRASION-RESISTANT BACKSIDE COATINGS CARESTREAM HEALTH INC (US) 2008-12-10 — — EP disclosed
US-7371709-B2 Thermally developable materials with backside antistatic layer TROPHY DENTAL INC. 2008-05-13 — — US disclosed
US-7097963-B1 Halogen substituted tetraazaindene compounds in photothermographic materials EASTMAN KODAK COMPANY (US) 2006-08-29 — — US disclosed
US-20060141402-A1 Aqueous-based photothermographic materials containing tetrafluoroborate salts EASTMAN KODAK COMPANY 2006-06-29 — — US disclosed
US-20060141403-A1 Blocked aliphatic thiol stabilizers for photothermographic materials EASTMAN KODAK COMPANY 2006-06-29 — — 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

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 ALDH1A1 2880/4885POLB 1857/4885OPRM1 1801/4885
US-20040038975-A1 Antimicrobial quinolones, their compositions and uses QARS1, NQO2, Q6ZSR9 ALDH1A1 2739/4885POLB 210/4885OPRM1 2498/4885

“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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