SCHEMBL3542541

SCHEMBL3542541

CCOC(=O)c1cc2cc(C(=O)O)c(Cl)cc2[nH]1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.63
HRH3 Q9Y5N1 1/20 0.61
KDM4E B2RXH2 3/20 0.60
ALDH1A1 P00352 3/20 0.60
HPGD P15428 3/20 0.60
RAB9A P51151 3/20 0.60
SMN1; SMN2 Q16637 2/20 0.60
NPC1 O15118 2/20 0.60
LMNA P02545 2/20 0.60
KMT2A Q03164 2/20 0.60
MEN1 O00255 1/20 0.60
GLA P06280 1/20 0.60
GAA P10253 1/20 0.60
MAPT P10636 1/20 0.60
ATM Q13315 1/20 0.60
HSD17B10 Q99714 1/20 0.58
HTT P42858 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
MMP13 P45452 8/20 0.53
MMP2 P08253 6/20 0.53

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
SCHEMBL1822084 0.89 ALOX15 (0.56) ALOX15HRH3KDM4EALDH1A1HPGD
SCHEMBL832201 0.88 ALOX15 (0.69) ALOX15HRH3KDM4EALDH1A1HPGD
SCHEMBL4049040 0.86 ALOX15 (0.66) ALOX15HRH3KDM4EALDH1A1HPGD
SCHEMBL1397976 0.84 ALOX15 (0.64) ALOX15HRH3KDM4EALDH1A1HPGD
SCHEMBL3276358 0.83 ALOX15 (0.63) ALOX15HRH3KDM4EALDH1A1HPGD
SCHEMBL29641398 0.83 ALOX15 (0.63) ALOX15HRH3KDM4EALDH1A1HPGD
SCHEMBL22760538 0.83 ALOX15 (0.63) ALOX15HRH3KDM4EALDH1A1HPGD
SCHEMBL1397981 0.82 ALOX15 (0.61) ALOX15HRH3KDM4EALDH1A1HPGD
SCHEMBL18331899 0.82 ALOX15 (0.64) ALOX15HRH3KDM4EALDH1A1HPGD
SCHEMBL23049705 0.81 ALOX15 (0.63) ALOX15HRH3KDM4EALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7723325-B2 5-amido-indole-2-carboxamide derivatives HOFFMAN-LA ROCHE INC. (US) 2010-05-25 US disclosed
US-20090264418-A1 5-AMIDO-INDOLE-2-CARBOXAMIDE DERIVATIVES NETTEKOVEN MATTHIAS 2009-10-22 US disclosed
US-7601711-B2 Such as [5-(4-cyclopentyl-piperazine-1-carbonyl)-1H-indol-2-yl]-morpholin-4-yl-methanone; histamine H3-antagonists HOFFMANN-LA ROCHE INC. (US) 2009-10-13 US disclosed
EP-2010487-A1 5-AMIDO-2-CARBOXAMIDE INDOLES F. Hoffmann-Roche AG (CH) 2009-01-07 EP disclosed
WO-2007115938-A1 5-AMIDO-2-CARBOXAMIDE INDOLES F. HOFFMANN-LA ROCHE AG (CH) 2007-10-18 WO disclosed
US-20070244125-A1 5-amido-indole-2-carboxamide derivatives F. HOFFMANN-LA ROCHE AG (CH) 2007-10-18 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 (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-20090264418-A1 5-AMIDO-INDOLE-2-CARBOXAMIDE DERIVATIVES HRH4, HRH3, CNR2 ALOX15 1840/4885HRH3 2/4885KDM4E 1682/4885
US-20070244125-A1 5-amido-indole-2-carboxamide derivatives HRH4, HRH3, CNR2 ALOX15 1840/4885HRH3 2/4885KDM4E 1682/4885

“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.