SCHEMBL4429911

SCHEMBL4429911

Cc1cc[n+]([O-])c2cc(N)ccc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.39
CASP1 P29466 7/20 0.38
KDM4E B2RXH2 7/20 0.36
MEN1 O00255 6/20 0.36
KMT2A Q03164 6/20 0.36
MAPT P10636 6/20 0.36
CYP3A4 P08684 5/20 0.36
SMN1; SMN2 Q16637 5/20 0.36
LMNA P02545 5/20 0.36
CASP7 P55210 4/20 0.36
HTT P42858 4/20 0.36
BRCA1 P38398 3/20 0.36
HIF1A Q16665 3/20 0.36
USP2 O75604 2/20 0.36
APEX1 P27695 1/20 0.36
HBB P68871 1/20 0.36
TSHR P16473 4/20 0.35
PDE10A Q9Y233 1/20 0.35
GLA P06280 3/20 0.35
HPGD P15428 3/20 0.35

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
SCHEMBL17646474 0.78 KDM4E (0.33) ALDH1A1KDM4EMAPTSMN1; SMN2LMNA
SCHEMBL7139095 0.74 GAA (0.43) ALDH1A1CASP1KDM4EMEN1KMT2A
SCHEMBL6023304 0.74 GAA (0.35) CYP3A4TSHRGAANPC1TP53
SCHEMBL5784218 0.72 MAPT (0.53) ALDH1A1KDM4EKMT2AMAPTSMN1; SMN2
SCHEMBL11688864 0.71 CASP1 (0.41) ALDH1A1CASP1KDM4EMEN1KMT2A
SCHEMBL11999964 0.69 KDM4E (0.49) ALDH1A1KDM4EMEN1KMT2AMAPT
SCHEMBL6024316 0.68 ALDH1A1 (0.35) ALDH1A1KDM4EMEN1KMT2AMAPT
SCHEMBL11803253 0.67 CASP1 (0.35) ALDH1A1CASP1KDM4EMEN1KMT2A
SCHEMBL25985955 0.66 ALDH1A1 (0.59) ALDH1A1CASP1KDM4EMEN1KMT2A
SCHEMBL1286632 0.65 MEN1 (0.47) ALDH1A1CASP1KDM4EMEN1KMT2A

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
US-7538121-B2 Vanilloid receptor modulators GLAXO GROUP LIMITED (GB) 2009-05-26 US disclosed
EP-2033953-A1 Vanilloid receptor modulators Glaxo Group Limited (GB) 2009-03-11 EP disclosed
CN-100374423-C Process for the preparation of 4-methyl-7-aminoquinolones CIBA SC HOLDING CO LTD (CH) 2008-03-12 CN disclosed
CN-100374423-C Process for the preparation of 4-methyl-7-aminoquinolones CIBA SC HOLDING CO LTD (CH) 2008-03-12 CN disclosed
US-7144993-B2 Process for the preparation of 4-methyl-7-aminoquinolones CIBA SPECIALTY CHEMICALS CORP. (US) 2006-12-05 US disclosed
US-7144993-B2 Process for the preparation of 4-methyl-7-aminoquinolones CIBA SPECIALTY CHEMICALS CORP. (US) 2006-12-05 US disclosed
US-20060142333-A1 Vanilloid receptor modulators MACDONALD GREGOR J 2006-06-29 US disclosed
US-20050222397-A1 Process for the preparation of 4-methyl-7-aminoquinolones CIBA SPECIALTY CHEMICALS CORP. 2005-10-06 US disclosed
US-20050222397-A1 Process for the preparation of 4-methyl-7-aminoquinolones CIBA SPECIALTY CHEMICALS CORP. 2005-10-06 US disclosed
CN-1602301-A Preparation process of 4-methyl-7-aminoquinolone CIBA SC HOLDING AG (CH) 2005-03-30 CN disclosed
CN-1602301-A Preparation process of 4-methyl-7-aminoquinolone CIBA SC HOLDING AG (CH) 2005-03-30 CN disclosed
EP-1480954-A1 VANILLOID RECEPTOR MODULATORS GLAXO GROUP LIMITED (GB) 2004-12-01 EP disclosed
EP-1453809-A1 PROCESS FOR THE PREPARATION OF 4-METHYL-7-AMINOQUINOLONES Ciba SC Holding AG (CH) 2004-09-08 EP disclosed
WO-2003068749-A1 VANILLOID RECEPTOR MODULATORS GLAXO GROUP LIMITED (GB) 2003-08-21 WO disclosed
WO-2003050089-A1 PROCESS FOR THE PREPARATION OF 4-METHYL-7-AMINOQUINOLONES CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2003-06-19 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-20060142333-A1 Vanilloid receptor modulators TRPV1, NPSR1, TRPV3 ALDH1A1 2107/4885CASP1 4536/4885KDM4E 3923/4885
US-20050222397-A1 Process for the preparation of 4-methyl-7-aminoquinolones CBR1, CBR3, MRPL21 ALDH1A1 2050/4885CASP1 3441/4885KDM4E 2804/4885

“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.