SCHEMBL2834503

SCHEMBL2834503

O=C(CCCCN1CCCCC1)c1ccccc1

nearest known ligand 0.79

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.79
KMT2A Q03164 4/20 0.79
GFER P55789 1/20 0.77
L3MBTL1 Q9Y468 3/20 0.64
KDM4E B2RXH2 1/20 0.64
DRD2 P14416 2/20 0.59
MAPT P10636 2/20 0.59
LMNA P02545 1/20 0.59
TDP1 Q9NUW8 1/20 0.59
HTR7 P34969 2/20 0.57
HTR1A P08908 1/20 0.57
HTR2A P28223 1/20 0.57
SLC6A4 P31645 1/20 0.57
HRH1 P35367 1/20 0.57
DRD3 P35462 1/20 0.57
HTR2B P41595 1/20 0.57
ADRA1D P25100 1/20 0.57
ADRA1A P35348 1/20 0.57
ADRA1B P35368 1/20 0.57

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
SCHEMBL5182996 0.98 ALDH1A1 (0.76) ALDH1A1KMT2AGFERL3MBTL1KDM4E
SCHEMBL7645836 0.95 ALDH1A1 (0.81) ALDH1A1KMT2AGFERL3MBTL1KDM4E
SCHEMBL10603564 0.95 ALDH1A1 (0.81) ALDH1A1KMT2AGFERL3MBTL1KDM4E
Hydrochloric Acid SCHEMBL10606849 0.94 ALDH1A1 (0.82) ALDH1A1KMT2AGFERL3MBTL1KDM4E
SCHEMBL10107784 0.88 ALDH1A1 (1.00) ALDH1A1KMT2AGFERL3MBTL1MAPT
SCHEMBL5356971 0.88 ALDH1A1 (1.00) ALDH1A1KMT2AGFERL3MBTL1MAPT
SCHEMBL8525343 0.88 ALDH1A1 (0.70) ALDH1A1KMT2AGFERL3MBTL1KDM4E
Fumaric Acid SCHEMBL10619017 0.88 ALDH1A1 (0.70) ALDH1A1KMT2AGFERL3MBTL1KDM4E
Hydrochloric Acid SCHEMBL10675086 0.87 ALDH1A1 (1.00) ALDH1A1KMT2AGFERMAPTLMNA
Hydrochloric Acid SCHEMBL29354698 0.87 ALDH1A1 (1.00) ALDH1A1KMT2AGFERMAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1898909-B1 QUINOLINE DERIVATIVES AS ANTIBACTERIAL AGENTS JANSSEN PHARMACEUTICA NV (BE) 2016-10-19 EP disclosed
EP-1898909-B1 QUINOLINE DERIVATIVES AS ANTIBACTERIAL AGENTS JANSSEN PHARMACEUTICA NV (BE) 2016-10-19 EP disclosed
EP-2099758-B1 ANTIBACTERIAL QUINOLINE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2016-03-09 EP disclosed
US-8841321-B2 Quinoline derivatives as antibacterial agents JANSSEN PHARMACEUTICA NV (BE) 2014-09-23 US disclosed
US-8841321-B2 Quinoline derivatives as antibacterial agents JANSSEN PHARMACEUTICA NV (BE) 2014-09-23 US disclosed
CN-101252927-B Quinoline derivatives as antibacterial agents JANSSEN PHARMACEUTICA NV 2014-01-01 CN disclosed
US-8415475-B2 Antibacterial quinoline derivatives JANSSEN PHARMACEUTICA N.V. (BE) 2013-04-09 US disclosed
US-20130030016-A1 QUINOLINE DERIVATIVES AS ANTIBACTERIAL AGENTS ANDRIES KOENRAAD JOZEF LODEWIJK (BE) 2013-01-31 US disclosed
US-20130030016-A1 QUINOLINE DERIVATIVES AS ANTIBACTERIAL AGENTS ANDRIES KOENRAAD JOZEF LODEWIJK (BE) 2013-01-31 US disclosed
US-20130030016-A1 QUINOLINE DERIVATIVES AS ANTIBACTERIAL AGENTS ANDRIES KOENRAAD JOZEF LODEWIJK (BE) 2013-01-31 US disclosed
EP-1898914-B1 QUINOLINE DERIVATIVES AS ANTIBACTERIAL AGENTS JANSSEN PHARMACEUTICA NV (BE) 2012-08-15 EP disclosed
US-20100197727-A1 Quinoline Derivatives as Antibacterial Agents JANSSEN PHARMACEUTICA N.V. (BE) 2010-08-05 US disclosed
US-20100197727-A1 Quinoline Derivatives as Antibacterial Agents JANSSEN PHARMACEUTICA N.V. (BE) 2010-08-05 US disclosed
US-20100197727-A1 Quinoline Derivatives as Antibacterial Agents JANSSEN PHARMACEUTICA N.V. (BE) 2010-08-05 US disclosed
US-20100048585-A1 QUINOLINE DERIVATIVES AS ANTIBACTERIAL AGENTS JANSSEN PHARMACEUTICA N.V. (BE) 2010-02-25 US disclosed
US-20100048585-A1 QUINOLINE DERIVATIVES AS ANTIBACTERIAL AGENTS JANSSEN PHARMACEUTICA N.V. (BE) 2010-02-25 US disclosed
US-20100048566-A1 ANTIBACTERIAL QUINOLINE DERIVATIVES JANSSEN PHARMACEUTICA N,V, (BE) 2010-02-25 US disclosed
WO-2007000435-A1 QUINOLINE DERIVATIVES AS ANTIBACTERIAL AGENTS JANSSEN PHARMACEUTICA N.V. (BE) 2007-01-04 WO disclosed
WO-2007000434-A1 QUINOLINE DERIVATIVES AS ANTIBACTERIAL AGENTS JANSSEN PHARMACEUTICA N.V. (BE) 2007-01-04 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 (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-20100048585-A1 QUINOLINE DERIVATIVES AS ANTIBACTERIAL AGENTS NQO2, HRH1, HRH2 ALDH1A1 776/4885KMT2A 2586/4885GFER 293/4885
US-20130030016-A1 QUINOLINE DERIVATIVES AS ANTIBACTERIAL AGENTS NQO2, NDUFB10, NDUFB7 ALDH1A1 2495/4885KMT2A 4093/4885GFER 896/4885
US-20100048566-A1 ANTIBACTERIAL QUINOLINE DERIVATIVES NQO2, NDUFB7, NDUFB5 ALDH1A1 2340/4885KMT2A 3901/4885GFER 1367/4885
US-20100197727-A1 Quinoline Derivatives as Antibacterial Agents QTRT1, QSOX1, NQO2 ALDH1A1 1387/4885KMT2A 3363/4885GFER 201/4885

“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.