SCHEMBL2769403

SCHEMBL2769403

CCOC(=O)c1cc2cc(OCCCCl)ccc2[nH]1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.70
ALDH1A1 P00352 3/20 0.70
HPGD P15428 3/20 0.70
RAB9A P51151 3/20 0.70
NPC1 O15118 2/20 0.70
LMNA P02545 2/20 0.70
HTT P42858 1/20 0.70
L3MBTL1 Q9Y468 1/20 0.70
SMN1; SMN2 Q16637 2/20 0.64
HSD17B10 Q99714 1/20 0.64
BCHE P06276 1/20 0.61
MAOA P21397 1/20 0.61
ACHE P22303 1/20 0.61
MAOB P27338 1/20 0.61
HRH3 Q9Y5N1 1/20 0.60
MEN1 O00255 1/20 0.59
GLA P06280 1/20 0.59
GAA P10253 1/20 0.59
MAPT P10636 1/20 0.59
KMT2A Q03164 1/20 0.59

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
SCHEMBL862913 0.92 KDM4E (0.74) KDM4EALDH1A1HPGDRAB9ANPC1
SCHEMBL13173588 0.89 KDM4E (0.73) KDM4EALDH1A1HPGDRAB9ANPC1
SCHEMBL3031260 0.89 KDM4E (0.72) KDM4EALDH1A1HPGDRAB9ANPC1
SCHEMBL9263164 0.88 KDM4E (0.80) KDM4EALDH1A1HPGDRAB9ANPC1
SCHEMBL31370745 0.88 KDM4E (0.74) KDM4EALDH1A1HPGDRAB9ANPC1
SCHEMBL4815909 0.88 KDM4E (0.74) KDM4EALDH1A1HPGDRAB9ANPC1
SCHEMBL11156280 0.87 KDM4E (0.66) KDM4EALDH1A1HPGDRAB9ANPC1
SCHEMBL13853762 0.85 KDM4E (0.67) KDM4EALDH1A1HPGDRAB9ANPC1
SCHEMBL3027775 0.85 KDM4E (0.67) KDM4EALDH1A1HPGDRAB9ANPC1
SCHEMBL5472257 0.85 PDGFRB (0.68) KDM4EALDH1A1HPGDRAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1960383-B1 5-SUBSTITUTED INDOLE-2-CARBOXAMIDE DERIVATIVES HOFFMANN LA ROCHE (CH) 2010-04-28 EP disclosed
EP-1960383-A1 5-SUBSTITUTED INDOLE-2-CARBOXAMIDE DERIVATIVES F. Hoffmann-la Roche AG (CH) 2008-08-27 EP disclosed
US-7388095-B2 5-substituted indole-2-carboxamide derivatives HOFFMANN-LA ROCHE INC. (US) 2008-06-17 US disclosed
EP-1761519-B1 INDOLE DERIVATIVES AS HISTAMINE RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2008-05-07 EP disclosed
US-7361682-B2 Indole derivatives as H3 inverse agonists HOFFMANN-LA ROCHE INC. (US) 2008-04-22 US disclosed
WO-2007063000-A1 5-SUBSTITUTED INDOLE-2-CARBOXAMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-06-07 WO disclosed
US-20070123525-A1 5-Substituted indole-2-carboxamide derivatives HOFFMANN-LA ROCHE INC. 2007-05-31 US disclosed
EP-1761519-A1 INDOLE DERIVATIVES AS HISTAMINE RECEPTOR ANTAGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2007-03-14 EP disclosed
WO-2005123716-A1 INDOLE DERIVATIVES AS HISTAMINE RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2005-12-29 WO disclosed
US-20050282864-A1 Indole derivatives as H3 inverse agonists HOFFMANN-LA ROCHE INC. 2005-12-22 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-20050282864-A1 Indole derivatives as H3 inverse agonists HRH3, HRH4, ADRB1 KDM4E 1001/4885ALDH1A1 2007/4885HPGD 950/4885
US-20070123525-A1 5-Substituted indole-2-carboxamide derivatives HRH4, HRH3, HCAR2 KDM4E 727/4885ALDH1A1 666/4885HPGD 1097/4885

“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.