SCHEMBL2821870

SCHEMBL2821870

COc1nc2ccc(Br)cc2cc1Cc1ccc(Cl)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.43
CCR5 P51681 6/20 0.38
TSHR P16473 2/20 0.38
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
KMT2A Q03164 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
AMY1A P0DUB6 1/20 0.38
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
ALOX15 P16050 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CNR2 P34972 1/20 0.36
KCNH2 Q12809 1/20 0.35
CACNA1C Q13936 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP2E1 P05181 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C8 P10632 1/20 0.34

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
SCHEMBL15358918 0.89 MAPK1 (0.47) MAPK1TSHRMEN1LMNAKMT2A
SCHEMBL12277874 0.88 KCNH2 (0.37) MAPK1TSHRMEN1LMNAKMT2A
SCHEMBL296886 0.86 KCNH2 (0.42) MEN1KMT2AKDM4EHPGDKCNH2
SCHEMBL15352415 0.86 PRNP (0.41) MAPK1KDM4EHPGDCNR2KCNH2
SCHEMBL13339581 0.85 MAPK1 (0.44) MAPK1TSHRMEN1LMNAKMT2A
SCHEMBL15363361 0.85 SLC6A4 (0.38) MAPK1MEN1LMNAKMT2AL3MBTL1
SCHEMBL18796264 0.85 SMN1; SMN2 (0.39) MAPK1LMNAAMY1AKDM4EALDH1A1
SCHEMBL15358942 0.84 MAPK1 (0.43) MAPK1TSHRMEN1LMNAKMT2A
SCHEMBL15359017 0.83 MAPK1 (0.42) MAPK1TSHRMEN1LMNAKMT2A
SCHEMBL19330207 0.83 KCNH2 (0.43) L3MBTL1KCNH2CACNA1CCYP3A4GRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9617244-B2 Antibacterial quinoline derivatives JANSSEN PHARMACEUTICA NV (BE) 2017-04-11 US disclosed
EP-1898910-B1 QUINOLINE DERIVATIVES AS ANTIBACTERIAL AGENTS JANSSEN PHARMACEUTICA NV (BE) 2016-09-28 EP disclosed
EP-2841426-B1 ANTIBACTERIAL QUINOLINE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2016-09-28 EP disclosed
EP-2841425-B1 ANTIBACTERIAL QUINOLINE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2016-03-23 EP disclosed
US-9133167-B2 Antibacterial quinoline derivatives JANSSEN PHARMACEUTICA NV (BE) 2015-09-15 US disclosed
US-20150065502-A1 ANTIBACTERIAL QUINOLINE DERIVATIVES JANSSEN-CILAG (FR) 2015-03-05 US disclosed
EP-2841426-A1 ANTIBACTERIAL QUINOLINE DERIVATIVES Janssen Pharmaceutica N.V. (BE) 2015-03-04 EP disclosed
EP-2841425-A1 ANTIBACTERIAL QUINOLINE DERIVATIVES Janssen Pharmaceutica, N.V. (BE) 2015-03-04 EP disclosed
US-20150051244-A1 ANTIBACTERIAL QUINOLINE DERIVATIVES JANSSEN-CILAG (FR) 2015-02-19 US disclosed
WO-2013160435-A1 ANTIBACTERIAL QUINOLINE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2013-10-31 WO disclosed
US-20100029679-A1 ANTIBACTERIAL QUINOLINE DERIVATIVES JANSSEN-CILAG (FR) 2010-02-04 US disclosed
US-20100029679-A1 ANTIBACTERIAL QUINOLINE DERIVATIVES JANSSEN-CILAG (FR) 2010-02-04 US disclosed
CN-101547906-A Antibacterial quinoline derivatives JANSSEN PHARMACEUTICA NV (BE) 2009-09-30 CN disclosed
EP-2099761-A2 ANTIBACTERIAL QUINOLINE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 2009-09-16 EP disclosed
WO-2008068266-A1 ANTIBACTERIAL QUINOLINE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 2008-06-12 WO disclosed
WO-2008068268-A1 ANTIBACTERIAL QUINOLINE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 2008-06-12 WO disclosed
WO-2008068272-A2 ANTIBACTERIAL QUINOLINE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 2008-06-12 WO disclosed
WO-2008068272-A2 ANTIBACTERIAL QUINOLINE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 2008-06-12 WO disclosed
EP-1898910-A1 QUINOLINE DERIVATIVES AS ANTIBACTERIAL AGENTS JANSSEN PHARMACEUTICA N.V. (BE) 2008-03-19 EP disclosed
WO-2007000436-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 (3 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-20150065502-A1 ANTIBACTERIAL QUINOLINE DERIVATIVES NQO2, NDUFB5, NDUFB7 MAPK1 1488/4885CCR5 1579/4885TSHR 4624/4885
US-20150051244-A1 ANTIBACTERIAL QUINOLINE DERIVATIVES NQO2, NDUFB5, NDUFB7 MAPK1 1488/4885CCR5 1579/4885TSHR 4624/4885
US-20100029679-A1 ANTIBACTERIAL QUINOLINE DERIVATIVES NQO2, NDUFB7, NDUFB5 MAPK1 1328/4885CCR5 1784/4885TSHR 4621/4885

“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.