SCHEMBL13227169

SCHEMBL13227169

Cc1nc2ccccc2cc1Cc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.55
HTT P42858 4/20 0.55
STAT3 P40763 3/20 0.55
ALDH1A1 P00352 2/20 0.50
HPGD P15428 2/20 0.50
CYP1A2 P05177 2/20 0.50
GAA P10253 2/20 0.50
KDM4E B2RXH2 1/20 0.50
GRM1 Q13255 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.44
MAPT P10636 4/20 0.43
GLA P06280 1/20 0.43
ACHE P22303 1/20 0.43
LMNA P02545 2/20 0.43
KMT2A Q03164 2/20 0.43
PDE10A Q9Y233 1/20 0.43
POLB P06746 1/20 0.43
CYP11B1 P15538 1/20 0.43
CYP11B2 P19099 1/20 0.43
MEN1 O00255 1/20 0.42

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
SCHEMBL11982989 0.82 GRM1 (0.39) SMN1; SMN2HTTSTAT3ALDH1A1CYP1A2
SCHEMBL11983073 0.80 KMT2A (0.42) SMN1; SMN2HTTSTAT3ALDH1A1HPGD
SCHEMBL22806612 0.80 ALDH1A1 (0.46) SMN1; SMN2HTTSTAT3ALDH1A1HPGD
SCHEMBL13029622 0.79 ALDH1A1 (0.55) SMN1; SMN2HTTSTAT3ALDH1A1HPGD
SCHEMBL13344534 0.79 PSMB5 (0.46) SMN1; SMN2HTTSTAT3ALDH1A1HPGD
SCHEMBL13877542 0.79 STAT3 (0.50) SMN1; SMN2HTTSTAT3ALDH1A1HPGD
SCHEMBL3207917 0.79 TLR8 (0.57) ALDH1A1HPGDGAAKDM4EMAPT
SCHEMBL4205004 0.79 ALDH1A1 (0.43) SMN1; SMN2HTTSTAT3ALDH1A1HPGD
SCHEMBL3954275 0.79 KMT2A (0.66) ALDH1A1HPGDCYP1A2GAAKDM4E
SCHEMBL21195866 0.78 CYP1A2 (0.47) SMN1; SMN2HTTSTAT3ALDH1A1HPGD

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 8 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-8691800-B2 Quinoline derivatives as antibacterial agents JANSSEN PHARMACEUTICA N.V. (BE) 2014-04-08 US disclosed
US-20130030017-A1 QUINOLINE DERIVATIVES AS ANTIBACTERIAL AGENTS ANDRIES KOENRAAD JOZEF LODEWIJK MARCEL (BE) 2013-01-31 US disclosed
US-20100204270-A1 Quinoline Derivatives as Antibacterial Agents JANSSEN PHARMACEUTICA N.V. (BE) 2010-08-12 US disclosed
US-20100048585-A1 QUINOLINE DERIVATIVES AS ANTIBACTERIAL AGENTS JANSSEN PHARMACEUTICA N.V. (BE) 2010-02-25 US disclosed
US-20080227775-A1 Quinoline Derivatives as Antibacterial Agents JANSSEN PHARMACEUTICA N.V. (BE) 2008-09-18 US disclosed
US-7338949-B2 Mycobacterial inhibitors JANSSEN PHARMACEUTICA N.V. (BE) 2008-03-04 US disclosed
US-20070082895-A1 Novel mycobacterial inhibitors JANSSEN PHARMACEUTICA N.V. (BE) 2007-04-12 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 (5 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 SMN1; SMN2 4688/4885HTT 1137/4885STAT3 2131/4885
US-20080227775-A1 Quinoline Derivatives as Antibacterial Agents NQO2, HRH1, HRH2 SMN1; SMN2 4749/4885HTT 651/4885STAT3 1626/4885
US-20100204270-A1 Quinoline Derivatives as Antibacterial Agents NQO2, NDUFB7, NQO1 SMN1; SMN2 2822/4885HTT 3818/4885STAT3 1181/4885
US-20130030017-A1 QUINOLINE DERIVATIVES AS ANTIBACTERIAL AGENTS NQO2, NDUFB7, NDUFA7 SMN1; SMN2 3156/4885HTT 3775/4885STAT3 712/4885
US-20070082895-A1 Novel mycobacterial inhibitors HRH4, NAT1, CBR3 SMN1; SMN2 4693/4885HTT 397/4885STAT3 3621/4885

“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.