SCHEMBL15328429

SCHEMBL15328429

O=C(Nc1cccc2cccnc12)c1ccc(Br)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 1.00
HDAC6 Q9UBN7 2/20 0.82
KDR P35968 5/20 0.76
L3MBTL1 Q9Y468 3/20 0.75
GAA P10253 1/20 0.75
MAPT P10636 4/20 0.70
TP53 P04637 3/20 0.70
KMT2A Q03164 2/20 0.67
HTT P42858 1/20 0.67
POLB P06746 1/20 0.67
NPC1 O15118 2/20 0.66
RAB9A P51151 2/20 0.66
CASP3 P42574 1/20 0.66
SENP8 Q96LD8 1/20 0.66
SENP7 Q9BQF6 1/20 0.66
SENP6 Q9GZR1 1/20 0.66
KDM4E B2RXH2 1/20 0.65
MEN1 O00255 1/20 0.64
ALDH1A1 P00352 1/20 0.62
TSHR P16473 1/20 0.62

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
SCHEMBL30061443 1.00 TDP1 (1.00) TDP1HDAC6KDRL3MBTL1GAA
SCHEMBL29647754 0.90 HDAC6 (1.00) TDP1HDAC6KDRL3MBTL1GAA
SCHEMBL19631488 0.90 HDAC6 (1.00) TDP1HDAC6KDRL3MBTL1GAA
SCHEMBL15270551 0.87 HDAC6 (0.79) TDP1HDAC6KDRL3MBTL1GAA
SCHEMBL6260903 0.87 KDR (1.00) TDP1HDAC6KDRL3MBTL1GAA
SCHEMBL29434873 0.87 KDR (1.00) TDP1HDAC6KDRL3MBTL1GAA
SCHEMBL28462225 0.86 TDP1 (0.76) TDP1HDAC6KDRL3MBTL1GAA
SCHEMBL29510045 0.86 TDP1 (0.76) TDP1HDAC6KDRL3MBTL1GAA
SCHEMBL16456332 0.86 HDAC6 (0.77) TDP1HDAC6KDRL3MBTL1GAA
SCHEMBL17552183 0.86 HDAC6 (0.77) TDP1HDAC6KDRL3MBTL1GAA

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113336784-B 3-substituted benzofluorenone or 3-substituted naphthofluorenone derivatives and synthesis method thereof 上海大学 2022-11-18 CN disclosed
CN-111690947-B Electrochemical synthesis method of trifluoromethylated aryl amide derivative 浙江工业大学 2021-10-15 CN disclosed
CN-113336784-A 3-substituted benzofluorenone or 3-substituted naphthofluorenone derivatives and synthesis method thereof 上海大学 2021-09-03 CN disclosed
CN-111423372-B Method for preparing N- (5-hydroxyquinoline-8-yl) benzamide compound by electrochemical microchannel reaction device 南京工业大学 2021-04-27 CN disclosed
CN-111690947-A Electrochemical synthesis method of trifluoromethylated aryl amide derivative 浙江工业大学 2020-09-22 CN disclosed
CN-109320497-B Method for preparing phenanthridinone compound by copper compound induction 广州大学 2020-07-31 CN disclosed
CN-111423372-A Method for preparing N- (5-hydroxyquinoline-8-yl) benzamide compound by electrochemical microchannel reaction device 南京工业大学 2020-07-17 CN disclosed
CN-109320497-A A method of phenanthridines ketone compounds are prepared by copper compound induction 广州大学 2019-02-12 CN disclosed
US-9108936-B2 Substituted 4-aminobenzamides as KCNQ2/3 modulators GRUENENTHAL GMBH (DE) 2015-08-18 US disclosed
EP-2844645-A1 SUBSTITUTED 4-AMINOBENZAMIDES AS KCNQ2/3 MODULATORS Grünenthal GmbH (DE) 2015-03-11 EP disclosed
WO-2013156155-A1 SUBSTITUTED 4-AMINOBENZAMIDES AS KCNQ2/3 MODULATORS Grünenthal GmbH (DE) 2013-10-24 WO disclosed
US-20130281452-A1 SUBSTITUTED 4-AMINOBENZAMIDES AS KCNQ2/3 MODULATORS GRUENENTHAL GMBH (DE) 2013-10-24 US 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-20130281452-A1 SUBSTITUTED 4-AMINOBENZAMIDES AS KCNQ2/3 MODULATORS KCNJ2, KCNQ2, KCNQ1 TDP1 3737/4885HDAC6 1515/4885KDR 3252/4885

“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.