SCHEMBL6490095

SCHEMBL6490095

CCOC(=O)c1c[nH]c2cc(Br)ccc12

nearest known ligand 0.70

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.70
GABRB2 P47870 2/20 0.70
GABRB1 P18505 1/20 0.70
GABRA3 P34903 1/20 0.70
NR4A2 P43354 3/20 0.56
ALDH1A1 P00352 2/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
KDM4E B2RXH2 1/20 0.50
LMNA P02545 1/20 0.50
POLB P06746 1/20 0.50
MAPT P10636 1/20 0.50
TP53 P04637 1/20 0.48
HPGD P15428 1/20 0.48
HSD17B10 Q99714 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48

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
SCHEMBL1430217 0.91 GABRA1 (0.81) GABRA1GABRB2GABRB1GABRA3ALDH1A1
SCHEMBL5739049 0.89 GABRA1 (0.82) GABRA1GABRB2GABRB1GABRA3NR4A2
SCHEMBL22445235 0.86 GABRA1 (0.56) GABRA1GABRB2GABRB1GABRA3NR4A2
SCHEMBL30539775 0.86 GABRA1 (0.56) GABRA1GABRB2GABRB1GABRA3NR4A2
SCHEMBL6421158 0.84 IMPDH2 (0.63) GABRA1GABRB2GABRB1GABRA3NR4A2
SCHEMBL5245797 0.84 CA12 (0.56) GABRA1GABRB2GABRB1GABRA3NR4A2
SCHEMBL497746 0.84 NR4A2 (0.78) GABRA1GABRB2GABRB1GABRA3NR4A2
SCHEMBL22864631 0.83 NR4A2 (0.54) GABRA1GABRB2GABRB1GABRA3NR4A2
SCHEMBL29800593 0.83 NR4A2 (0.54) GABRA1GABRB2GABRB1GABRA3NR4A2
SCHEMBL7381114 0.82 GABRA1 (1.00) GABRA1GABRB2GABRB1GABRA3NR4A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101070319-B Crystal form of anti-hepatitis B virus compound and preparation method and application thereof SHENGYANG ZHONGHAI BIOLOG TECHNOLOGY DEV CO LTD 2012-04-18 CN disclosed
CN-101070319-A Crystal form of anti-hepatitis B virus compound and preparation method and application thereof SHENGYANG ZHONGHAI BIOLOG TECH (CN) 2007-11-14 CN disclosed
US-6951880-B2 Aryl and heteroaryl compounds as antibacterial and antifungal agents GENELABS TECHNOLOGIES, INC. (US) 2005-10-04 US disclosed
WO-2004047724-A2 ARYL AND HETEROARYL COMPOUNDS AS ANTIBACTERIAL AND ANTIFUNGAL AGENTS GENELABS TECHNOLOGIES, INC (US) 2004-06-10 WO disclosed
US-20030220340-A1 Aryl and heteroaryl compounds as antibacterial and antifungal agents GLAXOSMITHKLINE LLC 2003-11-27 US disclosed
US-6436965-B1 INHIBITION OF PHOSPHODIESTERASE; 3-CARBOCYCLIC(ALKYL)OXY-2-ARYL(ALKYL)AMINOCARBONYL-1-ARYL(ALKYL)INDOLE OR AZAINDOLE DERIVATIVES MERCK FROSST CANADA & CO. (CA) 2002-08-20 US disclosed
US-20020068756-A1 PDE IV inhibiting amides, compositions and methods of treatment MERCK FROSST CANADA LTD. (CA) 2002-06-06 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-20030220340-A1 Aryl and heteroaryl compounds as antibacterial and antifungal agents AADAC, ERG28, LSS GABRA1 3237/4885GABRB2 3286/4885GABRB1 3253/4885
US-20020068756-A1 PDE IV inhibiting amides, compositions and methods of treatment PDE3A, PDE3B, PDE4A GABRA1 2868/4885GABRB2 3217/4885GABRB1 2766/4885

“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.