SCHEMBL1114643

SCHEMBL1114643

COc1cccc2ccc(=O)[nH]c12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 4/20 0.55
CA9 Q16790 4/20 0.55
NQO2 P16083 2/20 0.54
DAO P14920 1/20 0.46
CYP2A6 P11509 1/20 0.46
KDM4E B2RXH2 3/20 0.45
MEN1 O00255 2/20 0.45
POLB P06746 2/20 0.45
MAPT P10636 2/20 0.45
KMT2A Q03164 2/20 0.45
MCL1 Q07820 2/20 0.45
LMNA P02545 1/20 0.45
BLM P54132 1/20 0.45
CYP19A1 P11511 1/20 0.45
MTNR1A P48039 1/20 0.43
MTNR1B P49286 1/20 0.43
HRH4 Q9H3N8 1/20 0.43
FLT3 P36888 1/20 0.43
ALDH1A1 P00352 3/20 0.42
HPGD P15428 2/20 0.42

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
SCHEMBL19713074 0.88 CA12 (0.50) CA12CA9NQO2DAOCYP2A6
SCHEMBL1978356 0.80 CA12 (0.49) CA12CA9KDM4EPOLBMAPT
SCHEMBL98175 0.80 CA12 (0.49) CA12CA9KDM4EPOLBMAPT
SCHEMBL10064553 0.77 MCHR1 (0.48) CA12CA9PDE3BPDE3AGAA
SCHEMBL1137647 0.77 CA12 (0.43) CA12CA9KDM4EMEN1MAPT
SCHEMBL28427455 0.76 CA12 (0.44) CA12CA9NQO2MAPTMCL1
SCHEMBL19751536 0.76 CA12 (0.49) CA12CA9NQO2MAPTLMNA
SCHEMBL29153231 0.76 CA12 (0.49) CA12CA9NQO2KDM4EMAPT
SCHEMBL22901566 0.76 ABCB1 (0.51) MAPTHTTSMN1; SMN2
SCHEMBL9820774 0.76 MCHR1 (0.49) CA12CA9MEN1MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114539244-B Preparation method of moxifloxacin hydrochloride 沈阳药科大学 2023-04-14 CN disclosed
CN-114539244-A Preparation method of moxifloxacin hydrochloride 沈阳药科大学 2022-05-27 CN disclosed
EP-2941423-B1 DEOXYURIDINE TRIPHOSPHATASE INHIBITORS UNIV SOUTHERN CALIFORNIA (US) 2021-06-09 EP disclosed
EP-2941423-B1 DEOXYURIDINE TRIPHOSPHATASE INHIBITORS UNIV SOUTHERN CALIFORNIA (US) 2021-06-09 EP disclosed
US-10889563-B2 Deoxyuridine triphosphatase inhibitors UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2021-01-12 US disclosed
US-10889563-B2 Deoxyuridine triphosphatase inhibitors UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2021-01-12 US disclosed
US-20190270719-A1 DEOXYURIDINE TRIPHOSPHATASE INHIBITORS PRESTWICK CHEMICAL, SAS (FR) 2019-09-05 US disclosed
US-20190270719-A1 DEOXYURIDINE TRIPHOSPHATASE INHIBITORS PRESTWICK CHEMICAL, SAS (FR) 2019-09-05 US disclosed
US-10227326-B2 Deoxyuridine triphosphatase inhibitors UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2019-03-12 US disclosed
US-10227326-B2 Deoxyuridine triphosphatase inhibitors UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2019-03-12 US disclosed
CN-1200938-C Process for preparing 8-methoxy-quinolone BAYER MEDICAL AND HEALTH CARE (DE) 2005-05-11 CN disclosed
CN-1200938-C Process for preparing 8-methoxy-quinolone BAYER MEDICAL AND HEALTH CARE (DE) 2005-05-11 CN disclosed
CN-1151151-C Process for preparing 8-methoxy-quinolone carboxylic acids 2004-05-26 CN disclosed
CN-1418879-A Process for preparing 8-methoxy-quinolone BAYER AG (DE) 2003-05-21 CN disclosed
CN-1418879-A Process for preparing 8-methoxy-quinolone BAYER AG (DE) 2003-05-21 CN disclosed
EP-1017392-B1 MEDICAMENT FORMULATION WITH A CONTROLLED RELEASE OF AN ACTIVE AGENT BAYER AG (DE) 2002-07-17 EP disclosed
US-6270799-B1 1-CYCLOPROPYL-7-((S,S)-2,8-DIAZABICYCLO(4.3.0)NON-8-YL)-6-FLUO RO-1, 4-DIHYDRO-8-METHOXY-4-OXO-3-QUINO-LONECARBOXYLIC ACID AND/OR PHARMACEUTICALLY TOLERABLE SALTS BAYER AKTIENGESELLSCAHFT (DE) 2001-08-07 US disclosed
CN-1279683-A Process for preparing 8-methoxy-quinolone carboxylic acids BAYER AG (DE) 2001-01-10 CN disclosed
EP-1017392-A1 MEDICAMENT FORMULATION WITH A CONTROLLED RELEASE OF AN ACTIVE AGENT Bayer Aktiengesellschaft (DE) 2000-07-12 EP disclosed
WO-1999015172-A1 MEDICAMENT FORMULATION WITH A CONTROLLED RELEASE OF AN ACTIVE AGENT BAYER AKTIENGESELLSCHAFT (DE) 1999-04-01 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 (3 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-20190270719-A1 DEOXYURIDINE TRIPHOSPHATASE INHIBITORS DUT, TYMP, DPYD CA12 4496/4885CA9 3472/4885NQO2 350/4885
US-10889563-B2 Deoxyuridine triphosphatase inhibitors DUT, TYMP, DPYD CA12 4496/4885CA9 3472/4885NQO2 350/4885
US-10227326-B2 Deoxyuridine triphosphatase inhibitors DUT, TYMP, DPYD CA12 4496/4885CA9 3472/4885NQO2 350/4885

“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.