SCHEMBL1124933

SCHEMBL1124933

O=c1occ(CBr)c2ccccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.42
ELANE P08246 2/20 0.40
ALDH1A1 P00352 4/20 0.38
CYP1A2 P05177 3/20 0.38
GAA P10253 2/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CA2 P00918 2/20 0.37
CYP2C19 P33261 2/20 0.36
MAPT P10636 4/20 0.35
PKM P14618 2/20 0.35
CYP17A1 P05093 1/20 0.35
CYP19A1 P11511 1/20 0.35
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
HSD17B10 Q99714 2/20 0.35
THRB P10828 1/20 0.35
GMNN O75496 1/20 0.34
LMNA P02545 1/20 0.34

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
SCHEMBL31604209 0.82 MAOB (0.56) MAOBELANEALDH1A1CYP1A2GAA
SCHEMBL293680 0.80 MAOB (0.42) MAOBELANEALDH1A1CYP1A2GAA
SCHEMBL292873 0.77 MAOB (0.40) MAOBELANEALDH1A1CYP1A2GAA
SCHEMBL3281151 0.75 MAOB (0.53) MAOBCA2CYP17A1CYP19A1CYP11B1
SCHEMBL512163 0.74 CYP1A2 (0.38) MAOBELANEALDH1A1CYP1A2GAA
SCHEMBL17384229 0.74 MAOB (0.38) MAOBELANEALDH1A1CYP1A2GAA
SCHEMBL294718 0.73 CYP1A2 (0.37) MAOBALDH1A1CYP1A2GAAHPGD
SCHEMBL8395883 0.73 GAA (0.49) ALDH1A1CYP1A2GAAHPGDTSHR
SCHEMBL293706 0.72 CYP1A2 (0.36) MAOBALDH1A1CYP1A2GAAHPGD
SCHEMBL1719617 0.70 ALDH1A1 (0.43) ELANEALDH1A1CYP1A2TSHRCYP2C19

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
WO-2015199141-A1 COUMALIN-BASED CONDENSED RING COMPOUND EXHIBITING LUMINESCENCE/SEMICONDUCTOR PROPERTIES, AND METHOD FOR MANUFACTURING SAME 国立大学法人 群馬大学 2015-12-30 WO disclosed
EP-2284157-A1 Quinolines useful in treating cardiovascular disease Wyeth (US) 2011-02-16 EP disclosed
US-7576215-B2 Quinolines and pharmaceutical compositions thereof WYETH (US) 2009-08-18 US disclosed
EP-1692111-A2 QUINOLINES USEFUL IN TREATING CARDIOVASCULAR DISEASE Wyeth, A Corporation of the State of Delaware (US) 2006-08-23 EP disclosed
WO-2005058834-A2 QUINOLINES USEFUL IN TREATING CARDIOVASCULAR DISEASE WYETH (US) 2005-06-30 WO disclosed
US-20050131014-A1 Quinolines useful in treating cardiovascular disease WYETH (US) 2005-06-16 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 (1 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-20050131014-A1 Quinolines useful in treating cardiovascular disease NR1H2, NR1H3, SREBF1 MAOB 2151/4885ELANE 3156/4885ALDH1A1 1202/4885

“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.