Sugi Predict

Sugi Predict / Compounds / SCHEMBL1290193

SCHEMBL1290193

SCHEMBL1290193

COC(=O)c1cc(C2CC2)c2c(C)c(-c3cc(F)c(N)cc3F)ccn2c1=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ KCNH2 Q12809 1/20 0.38
▸ GRM2 Q14416 1/20 0.33
▸ SLC6A3 Q01959 1/20 0.32
▸ PDK2 Q15119 1/20 0.32
▸ PDK4 Q16654 1/20 0.32
▸ CFTR P13569 1/20 0.32
▸ ALDH1A1 P00352 2/20 0.31
▸ HPGD P15428 2/20 0.31
▸ TSHR P16473 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ PTGER4 P35408 1/20 0.30
▸ KDM4E B2RXH2 1/20 0.30
▸ NPC1 O15118 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ RAB9A P51151 1/20 0.30

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
SCHEMBL1290215 0.89 CYP1A2 (0.39) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL1289967 0.89 GRM2 (0.36) KCNH2GRM2SLC6A3PDK2PDK4
SCHEMBL1290167 0.88 SLC6A3 (0.37) KCNH2GRM2SLC6A3PDK2PDK4
SCHEMBL1290029 0.88 SLC6A3 (0.35) GRM2SLC6A3PDK2PDK4CFTR
Potassium Ion SCHEMBL1290125 0.88 CYP1A2 (0.40) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL20083228 0.87 CYP1A2 (0.38) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL10206495 0.86 SLC6A3 (0.36) GRM2SLC6A3PDK2PDK4CFTR
SCHEMBL1659919 0.85 CFTR (0.32) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL1290012 0.84 BRD4 (0.35) SLC6A3PDK2PDK4ALDH1A1PTGER4
SCHEMBL19712478 0.84 CYP1A2 (0.38) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-10155021-B2 Antimicrobial 4-oxoquinolizines EMERGENT PRODUCT DEVELOPMENT GAITHERSBURG INC. (US) 2018-12-18 — — US disclosed
US-20180296555-A1 2-PYRIDONE ANTIMICROBIAL COMPOSITIONS EMERGENT PRODUCT DEVELOPMENT GAITHERSBURG INC. 2018-10-18 — — US disclosed
EP-2621491-B1 2-PYRIDONE ANTIMICROBIAL COMPOSITIONS EMERGENT PRODUCT DEV GAITHERSBURG INC (US) 2018-08-29 — — EP disclosed
EP-3312176-A1 ANTIMICROBIAL 4-OXOQUINOLIZINES Emergent Product Development Gaithersburg Inc. (US) 2018-04-25 — — EP disclosed
EP-2670410-B1 ANTIMICROBIAL 4-OXOQUINOLIZINES EMERGENT PRODUCT DEV GAITHERSBURG INC (US) 2017-12-20 — — EP 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-8962842-B2 2-pyridone antimicrobial compositions EVOLVA SA (CH) 2015-02-24 — — US disclosed
EP-2670410-A1 ANTIMICROBIAL 4-OXOQUINOLIZINES Evolva SA (CH) 2013-12-11 — — EP 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
US-20130245035-A1 2-PYRIDONE ANTIMICROBIAL COMPOSITIONS EVOLVA SA (CH) 2013-09-19 — — US disclosed
EP-2621491-A1 2-PYRIDONE ANTIMICROBIAL COMPOSITIONS Evolva SA (CH) 2013-08-07 — — EP disclosed
WO-2012104305-A1 ANTIMICROBIAL 4-OXOQUINOLIZINES EVOLVA SA (CH) 2012-08-09 — — WO disclosed
WO-2012047487-A1 2-PYRIDONE ANTIMICROBIAL COMPOSITIONS EVOLVA SA (CH) 2012-04-12 — — WO disclosed
WO-2012047487-A1 2-PYRIDONE ANTIMICROBIAL COMPOSITIONS EVOLVA SA (CH) 2012-04-12 — — 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 (7 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 CYP1A2 374/4885CYP3A4 55/4885CYP2D6 249/4885
US-10155021-B2 Antimicrobial 4-oxoquinolizines DCAF15, CUL4A, CUL4B CYP1A2 380/4885CYP3A4 50/4885CYP2D6 278/4885
US-20180296555-A1 2-PYRIDONE ANTIMICROBIAL COMPOSITIONS TOP2A, TOP1, TOP2B CYP1A2 461/4885CYP3A4 1545/4885CYP2D6 295/4885
US-20170232060-A9 ANTIMICROBIAL 4-OXOQUINOLIZINES CUL4A, DCAF15, CUL4B CYP1A2 374/4885CYP3A4 55/4885CYP2D6 249/4885
US-20130252882-A1 ANTIMICROBIAL 4-OXOQUINOLIZINES CUL4A, DCAF15, CUL4B CYP1A2 374/4885CYP3A4 55/4885CYP2D6 249/4885
US-20130245035-A1 2-PYRIDONE ANTIMICROBIAL COMPOSITIONS TOP2A, TOP1, TOP2B CYP1A2 809/4885CYP3A4 2116/4885CYP2D6 456/4885
US-20170209437-A1 2-PYRIDONE ANTIMICROBIAL COMPOSITIONS TOP2A, TOP1, TOP2B CYP1A2 461/4885CYP3A4 1545/4885CYP2D6 295/4885

“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.