SCHEMBL2835446

SCHEMBL2835446

CCOC(=O)c1cc(F)c(F)c(OC)c1F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.42
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
NPC1 O15118 1/20 0.42
ATM Q13315 1/20 0.42
CA12 O43570 2/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA7 P43166 2/20 0.41
CA9 Q16790 2/20 0.41
CA14 Q9ULX7 2/20 0.41
MAPT P10636 4/20 0.41
LMNA P02545 3/20 0.41
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 2/20 0.40
TP53 P04637 1/20 0.40
HTT P42858 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
TDP1 Q9NUW8 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
Acetic Acid SCHEMBL28937184 0.95 TSHR (0.41) TSHRL3MBTL1KMT2AMEN1NPC1
SCHEMBL2829961 0.89 KMT2A (0.42) TSHRKMT2AMAPTLMNAALDH1A1
SCHEMBL2832574 0.88 ALDH1A1 (0.47) TSHRL3MBTL1KMT2AMAPTLMNA
SCHEMBL27501121 0.86 TSHR (0.41) TSHRL3MBTL1KMT2AMEN1NPC1
SCHEMBL28785157 0.86 GAA (0.37) TSHRL3MBTL1KMT2AMEN1NPC1
SCHEMBL2834707 0.86 KMT2A (0.51) TSHRL3MBTL1KMT2AMEN1TP53
SCHEMBL2831392 0.86 KMT2A (0.47) TSHRL3MBTL1KMT2AMEN1LMNA
SCHEMBL2001481 0.84 TSHR (0.52) TSHRL3MBTL1KMT2ACA12CA1
SCHEMBL2838554 0.84 NPC1 (0.36) TSHRL3MBTL1KMT2AMEN1NPC1
SCHEMBL27836209 0.84 TSHR (0.46) TSHRL3MBTL1KMT2AMEN1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111855848-B Method for analyzing genotoxic impurities in moxifloxacin hydrochloride starting material 山东省食品药品检验研究院 2022-02-18 CN claimed
CN-111855848-A Method for analyzing genotoxic impurities in moxifloxacin hydrochloride starting material 山东省食品药品检验研究院 2020-10-30 CN claimed
CN-111855848-B Method for analyzing genotoxic impurities in moxifloxacin hydrochloride starting material 山东省食品药品检验研究院 2022-02-18 CN disclosed
CN-111855848-B Method for analyzing genotoxic impurities in moxifloxacin hydrochloride starting material 山东省食品药品检验研究院 2022-02-18 CN disclosed
CN-111855848-A Method for analyzing genotoxic impurities in moxifloxacin hydrochloride starting material 山东省食品药品检验研究院 2020-10-30 CN disclosed
CN-111855848-A Method for analyzing genotoxic impurities in moxifloxacin hydrochloride starting material 山东省食品药品检验研究院 2020-10-30 CN disclosed
US-10385065-B2 Antibacterial compounds REDX PHARMA PLC (GB) 2019-08-20 US disclosed
US-10385065-B2 Antibacterial compounds REDX PHARMA PLC (GB) 2019-08-20 US disclosed
US-20170158708-A1 ANTIBACTERIAL COMPOUNDS REDX PHARMA PLC (GB) 2017-06-08 US disclosed
US-20170158708-A1 ANTIBACTERIAL COMPOUNDS REDX PHARMA PLC (GB) 2017-06-08 US disclosed
US-20170158708-A1 ANTIBACTERIAL COMPOUNDS REDX PHARMA PLC (GB) 2017-06-08 US disclosed
US-7094780-B1 3-aminoquinazolin-2,4-dione antibacterial agents WARNER LAMBERT COMPANY LLC (US) 2006-08-22 US disclosed
US-20060183762-A1 3-AMINOQUINAZOLIN-2,4-DIONE ANTIBACTERIAL AGENTS ZOETIS WLC LLC 2006-08-17 US disclosed
US-20050143407-A1 Process for porducing quinolonecarboxylic acid derivative DAIICHI PHARMACEUTICAL CO., LTD (JP) 2005-06-30 US disclosed
EP-1518856-A1 PROCESS FOR PRODUCING QUINOLONECARBOXYLIC ACID DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-03-30 EP disclosed
EP-1255739-A1 3-AMINOQUINAZOLIN-2,4-DIONE ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY (US) 2002-11-13 EP disclosed
US-20020049223-A1 Quinoline and naphthyridine carboxylic acid antibacterials ABBOTT LABORATORIES 2002-04-25 US disclosed
CN-1070191-C Novel quinolone-or naphthalenone-carboxylic acid derivatives or salts thereof TOYAMA CHEMICAL CO LTD (JP) 2001-08-29 CN disclosed
WO-2001053273-A1 3-AMINOQUINAZOLIN-2,4-DIONE ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY (US) 2001-07-26 WO disclosed
CN-1158611-A Novel quinolone-or naphthyridonecarboxylic acid derivative or salt thereof TOYAMA CHEMICAL CO LTD (JP) 1997-09-03 CN 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 (5 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-20170158708-A1 ANTIBACTERIAL COMPOUNDS ABCC1, SLC11A2, NQO2 TSHR 4571/4885L3MBTL1 2582/4885KMT2A 4283/4885
US-20060183762-A1 3-AMINOQUINAZOLIN-2,4-DIONE ANTIBACTERIAL AGENTS ABL1, NQO2, CBR3 TSHR 1500/4885L3MBTL1 3671/4885KMT2A 1288/4885
US-20050143407-A1 Process for porducing quinolonecarboxylic acid derivative PORCN, POR, COASY TSHR 4756/4885L3MBTL1 4869/4885KMT2A 4350/4885
US-20020049223-A1 Quinoline and naphthyridine carboxylic acid antibacterials NQO2, NQO1, NDUFA7 TSHR 3942/4885L3MBTL1 3816/4885KMT2A 3343/4885
US-10385065-B2 Antibacterial compounds ABCC1, SLC11A2, NQO2 TSHR 4571/4885L3MBTL1 2582/4885KMT2A 4283/4885

“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.