SCHEMBL1844647

SCHEMBL1844647

O=C(CCCCCl)c1cccc2ccccc12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.58
▸ HPGD P15428 4/20 0.58
▸ MAPT P10636 4/20 0.58
▸ KDM4E B2RXH2 4/20 0.58
▸ POLB P06746 3/20 0.58
▸ KMT2A Q03164 3/20 0.58
▸ MEN1 O00255 2/20 0.58
▸ GMNN O75496 2/20 0.58
▸ LMNA P02545 2/20 0.58
▸ MAPK1 P28482 2/20 0.58
▸ BLM P54132 2/20 0.58
▸ PMP22 Q01453 2/20 0.58
▸ NPSR1 Q6W5P4 2/20 0.58
▸ CMKLR1 Q99788 2/20 0.58
▸ TDP1 Q9NUW8 2/20 0.58
▸ CYP1A2 P05177 2/20 0.58
▸ CYP2D6 P10635 2/20 0.58
▸ HSD17B10 Q99714 2/20 0.58
▸ TP53 P04637 1/20 0.58
▸ CYP3A4 P08684 1/20 0.58

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
SCHEMBL12410626 0.98 ALDH1A1 (0.56) ALDH1A1HPGDMAPTKDM4EPOLB
SCHEMBL12410625 0.95 ALDH1A1 (0.59) ALDH1A1HPGDMAPTKDM4EPOLB
SCHEMBL3361461 0.88 ALDH1A1 (0.63) ALDH1A1HPGDMAPTKDM4EPOLB
SCHEMBL11588669 0.87 ALDH1A1 (0.45) ALDH1A1HPGDMAPTKDM4EPOLB
SCHEMBL27561707 0.87 ALDH1A1 (0.58) ALDH1A1HPGDMAPTKDM4EPOLB
SCHEMBL11589444 0.85 KDM4E (0.44) ALDH1A1HPGDMAPTKDM4EPOLB
SCHEMBL3381314 0.85 ALDH1A1 (0.59) ALDH1A1HPGDMAPTKDM4EPOLB
SCHEMBL9857065 0.83 MEN1 (0.62) ALDH1A1HPGDMAPTKDM4EPOLB
SCHEMBL7176337 0.83 ALDH1A1 (0.58) ALDH1A1HPGDMAPTKDM4EPOLB
SCHEMBL18156077 0.83 ALDH1A1 (0.58) ALDH1A1HPGDMAPTKDM4EPOLB

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
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
EP-1898914-B1 QUINOLINE DERIVATIVES AS ANTIBACTERIAL AGENTS JANSSEN PHARMACEUTICA NV (BE) 2012-08-15 — — EP disclosed
US-20110166179-A1 ANTIBACTERIAL QUINOLINE DERIVATIVES JANSSEN-CILAG (FR) 2011-07-07 — — US disclosed
US-20110166179-A1 ANTIBACTERIAL QUINOLINE DERIVATIVES JANSSEN-CILAG (FR) 2011-07-07 — — US disclosed
US-20110166179-A1 ANTIBACTERIAL QUINOLINE DERIVATIVES JANSSEN-CILAG (FR) 2011-07-07 — — US disclosed
EP-2099759-B1 ANTIBACTERIAL QUINOLINE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2011-05-18 — — EP disclosed
EP-2099759-B1 ANTIBACTERIAL QUINOLINE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2011-05-18 — — EP 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
WO-2008068270-A1 ANTIBACTERIAL QUINOLINE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 2008-06-12 — — WO disclosed
WO-2007000435-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 (2 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 776/4885HPGD 754/4885MAPT 4064/4885
US-20110166179-A1 ANTIBACTERIAL QUINOLINE DERIVATIVES NQO2, NDUFB5, NDUFB7 ALDH1A1 2256/4885HPGD 254/4885MAPT 3299/4885

“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.

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