SCHEMBL12277481

SCHEMBL12277481

Brc1ccc2ncc(Cc3ccccc3)cc2c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.41
LMNA P02545 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
BIRC5 O15392 1/20 0.40
CCNC P24863 1/20 0.39
CDK8 P49336 1/20 0.39
PIK3CD O00329 1/20 0.39
PIK3R1 P27986 1/20 0.39
HIF1A Q16665 1/20 0.39
CALM1 P0DP23 1/20 0.39
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
CYP2A6 P11509 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
ALKBH3 Q96Q83 1/20 0.37
ALDH1A1 P00352 2/20 0.36
PTGES O14684 1/20 0.36
GABRA1 P14867 1/20 0.36
GABRG2 P18507 1/20 0.36
GABRB3 P28472 1/20 0.36

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
SCHEMBL18856407 0.84 MAOB (0.38) HTTLMNASMN1; SMN2HIF1AALDH1A1
SCHEMBL1772519 0.82 BIRC5 (0.47) BIRC5KMT2AMEN1PDE10A
SCHEMBL6933468 0.81 PDGFRB (0.53) SMN1; SMN2CALM1KMT2AMEN1ALDH1A1
SCHEMBL22926854 0.81 PDE10A (0.49) HTTSMN1; SMN2CALM1KMT2AMEN1
SCHEMBL2621781 0.78 BACE1 (0.38) HTTLMNASMN1; SMN2BIRC5KMT2A
SCHEMBL18562139 0.78 CYP1A2 (0.40) HTTLMNASMN1; SMN2BIRC5CCNC
SCHEMBL25258837 0.77 PDGFRB (0.60) KMT2AMEN1PTGESGABRG2GABRB3
SCHEMBL31052337 0.77 PDGFRB (0.60) KMT2AMEN1PTGESGABRG2GABRB3
SCHEMBL9638 0.75 TLR2 (0.37) HTTBIRC5KMT2AMEN1CYP2A6
SCHEMBL12850737 0.75 MALT1 (0.38) HTTBIRC5KMT2AMEN1PDE10A

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 15 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
EP-2301544-B1 Quinoline derivatives as intermediates to mycobacterial inhibitors JANSSEN PHARMACEUTICA NV (BE) 2012-09-19 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-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-20110124870-A1 NOVEL MYCOBACTERIAL INHIBITORS JANSSEN-CILAG (FR) 2011-05-26 US disclosed
EP-2301544-A1 Quinoline derivatives as intermediates to mycobacterial inhibitors Janssen Pharmaceutica N.V. (BE) 2011-03-30 EP disclosed
US-7902225-B2 Mycobacterial inhibitors JANSSEN PHARMACEUTICA NV (BE) 2011-03-08 US disclosed
US-7902225-B2 Mycobacterial inhibitors JANSSEN PHARMACEUTICA NV (BE) 2011-03-08 US disclosed
US-7498343-B2 Quinolines; 1-(6-bromo-2-methoxy-quinolin-3-yl)-4-dimethylamino-2-naphthalen-1-yl-1-phenyl-butan-2-ol; Mycobacterium tuberculosis, M. bovis, M. avium and M. marinum; reduces the total length of treatment and the frequency of drug administration; multi-drug and antibiotic resistance JANSSEN PHARMACEUTICA N.V. (BE) 2009-03-03 US disclosed
US-7498343-B2 Quinolines; 1-(6-bromo-2-methoxy-quinolin-3-yl)-4-dimethylamino-2-naphthalen-1-yl-1-phenyl-butan-2-ol; Mycobacterium tuberculosis, M. bovis, M. avium and M. marinum; reduces the total length of treatment and the frequency of drug administration; multi-drug and antibiotic resistance JANSSEN PHARMACEUTICA N.V. (BE) 2009-03-03 US disclosed
US-20080255116-A1 Therapy for bacteria infections other than Mycibacterium infections; antibiotic resistance JANSSEN PHARMACEUTICA N.V. 2008-10-16 US disclosed
US-20080255116-A1 Therapy for bacteria infections other than Mycibacterium infections; antibiotic resistance JANSSEN PHARMACEUTICA N.V. 2008-10-16 US disclosed
US-20070093478-A1 Novel mycobacterial inhibitors JANSSEN PHARMACEUTICA N.V. (BE) 2007-04-26 US disclosed
US-20070093478-A1 Novel mycobacterial inhibitors JANSSEN PHARMACEUTICA N.V. (BE) 2007-04-26 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 (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 HTT 463/4885LMNA 2927/4885SMN1; SMN2 4270/4885
US-20070093478-A1 Novel mycobacterial inhibitors NQO2, NAT1, HRH1 HTT 534/4885LMNA 2887/4885SMN1; SMN2 4301/4885
US-20080255116-A1 Therapy for bacteria infections other than Mycibacterium infections; antibiotic resistance RER1, HRH4, HRH1 HTT 898/4885LMNA 4062/4885SMN1; SMN2 4683/4885

“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.