SCHEMBL741833

SCHEMBL741833

O=Cc1c(F)c2ccccc2[nH]c1=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.53
KDM4E B2RXH2 6/20 0.50
ALDH1A1 P00352 3/20 0.50
PARP1 P09874 2/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
LMNA P02545 2/20 0.50
TNKS O95271 1/20 0.50
CYP1A2 P05177 1/20 0.50
GPR3 P46089 1/20 0.50
BLM P54132 1/20 0.50
PMP22 Q01453 1/20 0.50
PARP15 Q460N3 1/20 0.50
HSD17B10 Q99714 1/20 0.50
TNKS2 Q9H2K2 1/20 0.50
MAPT P10636 2/20 0.46
IDE P14735 1/20 0.46
MPI P34949 1/20 0.46
CACNA1B Q00975 1/20 0.46
APBA1 Q02410 1/20 0.46

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
SCHEMBL30880427 0.86 KDM4E (0.50) POLBKDM4EALDH1A1PARP1MEN1
SCHEMBL27218363 0.86 KDM4E (0.50) POLBKDM4EALDH1A1PARP1MEN1
SCHEMBL23350310 0.80 KDM4E (0.52) POLBKDM4EALDH1A1PARP1MEN1
SCHEMBL1268537 0.79 KDM4E (0.59) KDM4EALDH1A1PARP1MEN1KMT2A
SCHEMBL30804387 0.79 KDM4E (0.59) KDM4EALDH1A1PARP1MEN1KMT2A
SCHEMBL14339329 0.79 KDM4E (0.50) POLBKDM4EALDH1A1PARP1MEN1
SCHEMBL2943656 0.79 KDM4E (0.65) POLBKDM4EALDH1A1PARP1MEN1
SCHEMBL26670852 0.76 KIF11 (0.46) POLBKDM4EALDH1A1PARP1MEN1
SCHEMBL18132168 0.76 AHR (0.47) POLBKDM4EALDH1A1PARP1MEN1
SCHEMBL20659375 0.75 DAO (0.54) POLBKDM4EALDH1A1PARP1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106316948-A Alpha, beta-unsaturated ketone derivative of N-methylciprofloxacin, preparation method of derivative, and application of derivative 河南大学 2017-01-11 CN claimed
CN-106279019-A A kind of α of enrofloxacin, alpha, beta-unsaturated ketone derivant and its preparation method and application 河南大学 2017-01-04 CN claimed
CN-102827187-B Fluoroquinolone acetal isoniazone, and preparation method and application thereof UNIV HENAN 2014-05-14 CN claimed
CN-102827146-B Fluoroquinolone acetal ftivazide as well as preparation method and application thereof UNIV HENAN 2014-01-22 CN claimed
CN-102827146-A Fluoroquinolone acetal ftivazide as well as preparation method and application thereof UNIV HENAN 2012-12-19 CN claimed
CN-102827187-A Fluoroquinolone acetal isoniazone, and preparation method and application thereof UNIV HENAN 2012-12-19 CN claimed
CN-106316948-A Alpha, beta-unsaturated ketone derivative of N-methylciprofloxacin, preparation method of derivative, and application of derivative 河南大学 2017-01-11 CN disclosed
CN-106279019-A A kind of α of enrofloxacin, alpha, beta-unsaturated ketone derivant and its preparation method and application 河南大学 2017-01-04 CN disclosed
CN-104557973-B 3,3 '-methylene of a kind of chirality piperazine quinoline ring-bis-fluoro quinolone derivatives and its preparation method and application 河南大学 2016-11-23 CN disclosed
CN-104370812-B A kind of 3,3 '-methylene containing ring the third quinoline ring-bis-fluoro quinolone derivatives and its preparation method and application 河南大学 2016-06-29 CN disclosed
CN-104557973-A 3,3'-methene-difluoroquinolone derivative of chiral oxazine quinoline ring as well as preparation method and application of 3,3'-methene-difluoroquinolone derivative UNIV HENAN 2015-04-29 CN disclosed
CN-104447537-A 3,3'-methylene-bisfluoroquinolone derivative containing ethylquinoline rings as well as preparation method and application thereof UNIV HENAN 2015-03-25 CN disclosed
CN-104370812-A 3,3'-methylene-bisfluoroquinolone derivative containing cyclopropylquinoline ring as well as preparation method and application of 3,3'-methylene-bisfluoroquinolone derivative UNIV HENAN 2015-02-25 CN disclosed
CN-102827146-A Fluoroquinolone acetal ftivazide as well as preparation method and application thereof UNIV HENAN 2012-12-19 CN disclosed
CN-102827187-A Fluoroquinolone acetal isoniazone, and preparation method and application thereof UNIV HENAN 2012-12-19 CN disclosed
CN-102459169-A Redox drug derivatives BRADFORD PHARMA LTD 2012-05-16 CN disclosed
US-20120077974-A1 REDOX DRUG DERIVATIVES REDX PHARMA PLC (GB) 2012-03-29 US disclosed
EP-2429991-A1 REDOX DRUG DERIVATIVES Redx Pharma Limited (GB) 2012-03-21 EP disclosed
WO-2010131054-A9 REDOX DRUG DERIVATIVES BRADFORD PHARMA LIMITED (GB) 2011-05-12 WO disclosed
WO-2010131054-A1 REDOX DRUG DERIVATIVES BRADFORD PHARMA LIMITED (GB) 2010-11-18 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 (1 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-20120077974-A1 REDOX DRUG DERIVATIVES NOX4, AOX1, ALDH5A1 POLB 2160/4885KDM4E 1523/4885ALDH1A1 5/4885

“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.