SCHEMBL1784866

SCHEMBL1784866

O=C(Nc1cccc(Br)c1)/C(=C\c1ccccc1)c1ccccc1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.75
KMT2A Q03164 6/20 0.75
MAPT P10636 6/20 0.75
LMNA P02545 5/20 0.75
ALDH1A1 P00352 3/20 0.75
HTT P42858 3/20 0.75
HPGD P15428 2/20 0.75
KDM4E B2RXH2 2/20 0.75
POLB P06746 1/20 0.75
MAPK1 P28482 1/20 0.75
MAOB P27338 4/20 0.57
MAOA P21397 2/20 0.57
ALOX12 P18054 1/20 0.56
NPSR1 Q6W5P4 4/20 0.54
CYP2D6 P10635 2/20 0.54
CYP2C9 P11712 2/20 0.54
CYP2C19 P33261 2/20 0.54
CYP3A4 P08684 1/20 0.54
CRHBP P24387 1/20 0.54
CRHR2 Q13324 1/20 0.54

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
SCHEMBL1784868 1.00 MEN1 (0.75) MEN1KMT2AMAPTLMNAALDH1A1
SCHEMBL11665349 0.87 MAPT (1.00) MEN1KMT2AMAPTLMNAALDH1A1
SCHEMBL29892666 0.83 MAOB (0.59) MEN1KMT2AMAPTLMNAALDH1A1
SCHEMBL27077407 0.83 MAOB (0.59) MEN1KMT2AMAPTLMNAALDH1A1
SCHEMBL29158527 0.77 MAPT (0.79) MEN1KMT2AMAPTLMNAALDH1A1
SCHEMBL29158467 0.77 MAPT (0.79) MEN1KMT2AMAPTLMNAALDH1A1
SCHEMBL8795911 0.76 PTGS2 (0.70) MEN1KMT2AMAPTLMNAALDH1A1
SCHEMBL5206467 0.76 PTGS2 (0.70) MEN1KMT2AMAPTLMNAALDH1A1
SCHEMBL22191811 0.76 MEN1 (0.78) MEN1KMT2AMAPTLMNAALDH1A1
SCHEMBL2843795 0.75 MAPT (0.71) MEN1KMT2AMAPTLMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1912647-B1 QUINOLINE DERIVATIVES AS ANTIBACTERICAL AGENTS JANSSEN PHARMACEUTICA NV (BE) 2013-09-11 EP disclosed
US-8017606-B2 Therapy for bacteria infections other than Mycibacterium infections; antibiotic resistance JANSSEN PHARMACEUTICA NV (BE) 2011-09-13 US disclosed
US-20110124870-A1 NOVEL MYCOBACTERIAL INHIBITORS JANSSEN-CILAG (FR) 2011-05-26 US disclosed
US-7902225-B2 Mycobacterial inhibitors JANSSEN PHARMACEUTICA NV (BE) 2011-03-08 US disclosed
EP-1711181-B1 QUINOLINE DERIVATIVES AND USE THEREOF AS MYCOBACTERIAL INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2009-09-30 EP disclosed
US-20080255116-A1 Therapy for bacteria infections other than Mycibacterium infections; antibiotic resistance JANSSEN PHARMACEUTICA N.V. 2008-10-16 US disclosed
EP-1912647-A2 QUINOLINE DERIVATIVES AS ANTIBACTERICAL AGENTS JANSSEN PHARMACEUTICA N.V. (BE) 2008-04-23 EP disclosed
US-20070093478-A1 Novel mycobacterial inhibitors JANSSEN PHARMACEUTICA N.V. (BE) 2007-04-26 US disclosed
WO-2007014940-A2 QUINOLINE DERIVATIVES AS ANTIBACTERICAL AGENTS JANSSEN PHARMACEUTICA N.V. (BE) 2007-02-08 WO disclosed
EP-1711181-A1 QUINOLINE DERIVATIVES AND USE THEREOF AS MYCOBACTERIAL INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2006-10-18 EP disclosed
WO-2005070430-A1 QUINOLINE DERIVATIVES AND USE THEREOF AS MYCOBACTERIAL INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2005-08-04 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-20110124870-A1 NOVEL MYCOBACTERIAL INHIBITORS NQO2, NAT1, HRH1 MEN1 1507/4885KMT2A 3862/4885MAPT 904/4885
US-20070093478-A1 Novel mycobacterial inhibitors NQO2, NAT1, HRH1 MEN1 1792/4885KMT2A 3905/4885MAPT 854/4885
US-20080255116-A1 Therapy for bacteria infections other than Mycibacterium infections; antibiotic resistance RER1, HRH4, HRH1 MEN1 648/4885KMT2A 2701/4885MAPT 2499/4885

“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.