SCHEMBL4464552

SCHEMBL4464552

O=c1ccc2ccc3ncccc3c2[nH]1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.50
KDM4E B2RXH2 1/20 0.50
CYP3A4 P08684 1/20 0.50
LMNA P02545 2/20 0.49
CA12 O43570 3/20 0.43
CA9 Q16790 3/20 0.43
NCOA1 Q15788 1/20 0.41
MEN1 O00255 1/20 0.41
HSP90AA1 P07900 1/20 0.41
HSP90AB1 P08238 1/20 0.41
HTT P42858 1/20 0.41
BLM P54132 1/20 0.41
KMT2A Q03164 1/20 0.41
HIF1A Q16665 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ACVR1 Q04771 2/20 0.40
MET P08581 1/20 0.40
HCAR1 Q9BXC0 2/20 0.39
ERN1 O75460 1/20 0.39
AURKA O14965 1/20 0.39

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
SCHEMBL6904546 0.85 CA12 (0.46) MAPTKDM4ECYP3A4LMNACA12
SCHEMBL1982985 0.80 CYP3A4 (0.47) MAPTKDM4ECYP3A4LMNANCOA1
SCHEMBL1416592 0.79 MAPT (0.50) MAPTKDM4ECYP3A4LMNANCOA1
SCHEMBL22607244 0.79 KDM4E (0.48) KDM4ECA12CA9SMN1; SMN2PARP1
SCHEMBL29611187 0.79 KDM4E (0.48) KDM4ECA12CA9SMN1; SMN2PARP1
SCHEMBL28718999 0.79 MAPT (0.50) MAPTKDM4ECYP3A4LMNANCOA1
SCHEMBL30538321 0.77 MAPT (0.52) MAPTKDM4ECYP3A4LMNAMEN1
SCHEMBL7846153 0.77 CYP3A4 (0.47) MAPTKDM4ECYP3A4LMNAMEN1
SCHEMBL10528166 0.77 HCAR2 (0.41) MAPTKDM4ELMNACA12CA9
SCHEMBL29852620 0.75 MAPT (0.54) MAPTKDM4ECYP3A4LMNANCOA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004076641-A2 NEW MICROORGANISM IMPLICATED IN INTESTINAL DISEASES, ALZHEIMER’S DISEASE AND OTHER DISEASES JJ & C, INC. (US) 2004-09-10 WO claimed
US-4730014-A COLORING HIGH-MOLECULAR WEIGHT ORGANIC MATERIALS CIBA-GEIGY CORPORATION (US) 1988-03-08 US claimed
US-11419834-B2 Methods for treating diseases or infections caused by or associated with H. pylori using a halogenated salicylanilide RHODE ISLAND HOSPITAL (US) 2022-08-23 US disclosed
US-20210137948-A1 TREATMENT OF INFECTIONS CAUSED BY NEISSERIA GONOCOCCUS USING A HALOGENATED SALICYLANILIDE UNION therapeutics A/S (DK) 2021-05-13 US disclosed
EP-3773602-A1 TREATMENT OF INFECTIONS CAUSED BY NEISSERIA GONOCOCCUS USING A HALOGENATED SALICYLANILIDE UNION therapeutics A/S (DK) 2021-02-17 EP disclosed
US-20200268693-A1 METHODS FOR TREATING DISEASES OR INFECTIONS CAUSED BY OR ASSOCIATED WITH H. PYLORI USING A HALOGENATED SALICYLANILIDE RHODE ISLAND HOSPITAL 2020-08-27 US disclosed
US-20190328687-A1 Antibacterial Compounds VICTORIA LINK LIMITED (NZ) 2019-10-31 US disclosed
WO-2019192968-A1 TREATMENT OF INFECTIONS CAUSED BY NEISSERIA GONOCOCCUS USING A HALOGENATED SALICYLANILIDE UNION therapeutics A/S (DK) 2019-10-10 WO disclosed
EP-3220919-A1 ANTIBACTERIAL COMPOUNDS Victoria Link Limited (NZ) 2017-09-27 EP disclosed
WO-2016080846-A1 ANTIBACTERIAL COMPOUNDS COPP JANINE NAOMI (NZ) 2016-05-26 WO disclosed
CN-103384724-A Nmr systems and methods for the detection of analytes T2 BIOSYSTEMS INC 2013-11-06 CN disclosed
WO-1991012004-A1 TOPICAL USE OF 6-N-BUTYL-1,4,7,10-TETRAHYDRO-4,10-DIOXO-1,7-PHENANTHROLINE-2,8-DICARBOXYLIC ACID DERIVATIVES ALLERGAN, INC. (US) 1991-08-22 WO disclosed
EP-0265383-A3 USE OF PYRIDOQUINOLONE DERIVATIVES AS PIGMENTS CIBA-GEIGY AG (CH) 1990-08-22 EP disclosed
US-4782153-A HEAT-RESISTANT YELLOW DYES CIBA-GEIGY CORPORATION (US) 1988-11-01 US disclosed
US-4782153-A HEAT-RESISTANT YELLOW DYES CIBA-GEIGY CORPORATION (US) 1988-11-01 US disclosed
US-4782153-A HEAT-RESISTANT YELLOW DYES CIBA-GEIGY CORPORATION (US) 1988-11-01 US disclosed
EP-0265383-A2 Use of pyridoquinolone derivatives as pigments CIBA-GEIGY AG (CH) 1988-04-27 EP disclosed
US-4730014-A COLORING HIGH-MOLECULAR WEIGHT ORGANIC MATERIALS CIBA-GEIGY CORPORATION (US) 1988-03-08 US disclosed
US-4730014-A COLORING HIGH-MOLECULAR WEIGHT ORGANIC MATERIALS CIBA-GEIGY CORPORATION (US) 1988-03-08 US disclosed
US-4730014-A COLORING HIGH-MOLECULAR WEIGHT ORGANIC MATERIALS CIBA-GEIGY CORPORATION (US) 1988-03-08 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 (4 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-20200268693-A1 METHODS FOR TREATING DISEASES OR INFECTIONS CAUSED BY OR ASSOCIATED WITH H. PYLORI USING A HALOGENATED SALICYLANILIDE MALT1, SI, BCL6 MAPT 4827/4885KDM4E 803/4885CYP3A4 525/4885
US-11419834-B2 Methods for treating diseases or infections caused by or associated with H. pylori using a halogenated salicylanilide MALT1, SI, BCL6 MAPT 4827/4885KDM4E 803/4885CYP3A4 525/4885
US-20210137948-A1 TREATMENT OF INFECTIONS CAUSED BY NEISSERIA GONOCOCCUS USING A HALOGENATED SALICYLANILIDE MGLL, NIT2, SI MAPT 4714/4885KDM4E 2930/4885CYP3A4 866/4885
US-20190328687-A1 Antibacterial Compounds SHARPIN, FDPS, BROX MAPT 3628/4885KDM4E 2875/4885CYP3A4 3540/4885

“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.