Sugi Predict

Sugi Predict / Compounds / SCHEMBL8561704

SCHEMBL8561704

SCHEMBL8561704

Cc1c(N2CCC[C@H](N)C2)c(F)cn2c(=O)c(C(=O)O)cc(C3CC3)c12

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SCN5A Q14524 1/20 0.42
▸ ALDH1A1 P00352 2/20 0.41
▸ POLB P06746 1/20 0.41
▸ CHRM2 P08172 1/20 0.41
▸ CHRM1 P11229 1/20 0.41
▸ OPRM1 P35372 1/20 0.41
▸ OPRD1 P41143 1/20 0.41
▸ KCNH2 Q12809 1/20 0.40
▸ DPP4 P27487 3/20 0.38
▸ PIM1 P11309 1/20 0.37
▸ GSK3A P49840 1/20 0.37
▸ GSK3B P49841 1/20 0.37
▸ PIM3 Q86V86 1/20 0.37
▸ CSNK1G1 Q9HCP0 1/20 0.37
▸ TOP2A P11388 9/20 0.37
▸ TOP2B Q02880 7/20 0.37
▸ KDM4E B2RXH2 1/20 0.36
▸ TOP1 P11387 4/20 0.36

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
SCHEMBL12590147 1.00 SCN5A (0.42) SCN5AALDH1A1POLBCHRM2CHRM1
SCHEMBL8564917 1.00 SCN5A (0.42) SCN5AALDH1A1POLBCHRM2CHRM1
Hydrochloric Acid SCHEMBL7500979 0.99 SCN5A (0.42) SCN5AALDH1A1POLBCHRM2CHRM1
Hydrochloric Acid SCHEMBL8575902 0.99 SCN5A (0.42) SCN5AALDH1A1POLBCHRM2CHRM1
Hydrochloric Acid SCHEMBL7502229 0.99 SCN5A (0.42) SCN5AALDH1A1POLBCHRM2CHRM1
Abt-719 SCHEMBL1290350 0.94 ALDH1A1 (0.46) SCN5AALDH1A1POLBCHRM2CHRM1
Abt-719 SCHEMBL1290190 0.94 ALDH1A1 (0.46) SCN5AALDH1A1POLBCHRM2CHRM1
Abt-719 SCHEMBL8569278 0.94 ALDH1A1 (0.46) SCN5AALDH1A1POLBCHRM2CHRM1
Abt-719 SCHEMBL7496841 0.93 ALDH1A1 (0.45) SCN5AALDH1A1POLBCHRM2CHRM1
Abt-719 SCHEMBL7496844 0.93 ALDH1A1 (0.45) SCN5AALDH1A1POLBCHRM2CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5599816-A BACTERICIDE ABBOTT LABORATORIES (US) 1997-02-04 — — US claimed
WO-1996039407-A1 QUINOLIZINONE TYPE COMPOUNDS ABBOTT LABORATORIES (US) 1996-12-12 — — WO claimed
EP-3476844-A1 ANTIMICROBIAL 4-OXOQUINOLIZINES Emergent Product Development Gaithersburg Inc. (US) 2019-05-01 — — EP disclosed
US-20190105367-A1 ANTIMICROBIAL 4-OXOQUINOLIZINES EMERGENT PRODUCT DEVELOPMENT GAITHERSBURG INC. (US) 2019-04-11 — — US disclosed
EP-3312176-A1 ANTIMICROBIAL 4-OXOQUINOLIZINES Emergent Product Development Gaithersburg Inc. (US) 2018-04-25 — — EP disclosed
US-20170232060-A9 ANTIMICROBIAL 4-OXOQUINOLIZINES EMERGENT PRODUCT DEVELOPMENT GAITHERSBURG INC. 2017-08-17 — — US disclosed
US-20170232060-A9 ANTIMICROBIAL 4-OXOQUINOLIZINES EMERGENT PRODUCT DEVELOPMENT GAITHERSBURG INC. 2017-08-17 — — US disclosed
US-20170209437-A1 2-PYRIDONE ANTIMICROBIAL COMPOSITIONS EVOLVA SA (CH) 2017-07-27 — — US disclosed
US-20170209437-A1 2-PYRIDONE ANTIMICROBIAL COMPOSITIONS EVOLVA SA (CH) 2017-07-27 — — US disclosed
US-20170106045-A1 ANTIMICROBIAL 4-OXOQUINOLIZINES EMERGENT PRODUCT DEVELOPMENT GAITHERSBURG INC. 2017-04-20 — — US disclosed
US-20170106045-A1 ANTIMICROBIAL 4-OXOQUINOLIZINES EMERGENT PRODUCT DEVELOPMENT GAITHERSBURG INC. 2017-04-20 — — US disclosed
US-8962842-B2 2-pyridone antimicrobial compositions EVOLVA SA (CH) 2015-02-24 — — US disclosed
US-20130252882-A1 ANTIMICROBIAL 4-OXOQUINOLIZINES EVOLVA SA (CH) 2013-09-26 — — US disclosed
US-20130252882-A1 ANTIMICROBIAL 4-OXOQUINOLIZINES EVOLVA SA (CH) 2013-09-26 — — US disclosed
US-20130245035-A1 2-PYRIDONE ANTIMICROBIAL COMPOSITIONS EVOLVA SA (CH) 2013-09-19 — — US disclosed
US-20130245035-A1 2-PYRIDONE ANTIMICROBIAL COMPOSITIONS EVOLVA SA (CH) 2013-09-19 — — US disclosed
EP-0871628-A1 QUINOLIZINONE TYPE COMPOUNDS Abbott Laboratories (US) 1998-10-21 — — EP disclosed
US-5726182-A TREATMENT OF BACTERIAL INFECTIONS ABBOTT LABORATORIES (US) 1998-03-10 — — US disclosed
US-5599816-A BACTERICIDE ABBOTT LABORATORIES (US) 1997-02-04 — — US disclosed
WO-1996039407-A1 QUINOLIZINONE TYPE COMPOUNDS ABBOTT LABORATORIES (US) 1996-12-12 — — 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 (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-20190105367-A1 ANTIMICROBIAL 4-OXOQUINOLIZINES CUL4A, DCAF15, CUL4B SCN5A 476/4885ALDH1A1 3182/4885POLB 446/4885
US-20170106045-A1 ANTIMICROBIAL 4-OXOQUINOLIZINES CUL4A, DCAF15, CUL4B SCN5A 476/4885ALDH1A1 3182/4885POLB 446/4885
US-20170232060-A9 ANTIMICROBIAL 4-OXOQUINOLIZINES CUL4A, DCAF15, CUL4B SCN5A 476/4885ALDH1A1 3182/4885POLB 446/4885
US-20130252882-A1 ANTIMICROBIAL 4-OXOQUINOLIZINES CUL4A, DCAF15, CUL4B SCN5A 476/4885ALDH1A1 3182/4885POLB 446/4885
US-20130245035-A1 2-PYRIDONE ANTIMICROBIAL COMPOSITIONS TOP2A, TOP1, TOP2B SCN5A 2786/4885ALDH1A1 3718/4885POLB 16/4885
US-20170209437-A1 2-PYRIDONE ANTIMICROBIAL COMPOSITIONS TOP2A, TOP1, TOP2B SCN5A 3508/4885ALDH1A1 3063/4885POLB 19/4885

“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.