SCHEMBL4306120

SCHEMBL4306120

Cc1ccc(C(CN)CC(=O)O)s1.NCC(CC(=O)O)c1ccc(Br)s1

nearest known ligand 0.83

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GABBR2 O75899 5/20 0.57
GABBR1 Q9UBS5 5/20 0.57
LMNA P02545 2/20 0.40
CYP2C9 P11712 2/20 0.40
CYP3A4 P08684 1/20 0.40
ADORA3 P0DMS8 1/20 0.40
NFKB1 P19838 1/20 0.40
DRD3 P35462 1/20 0.40
BLM P54132 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40
MEN1 O00255 1/20 0.40
THRB P10828 1/20 0.40
TSHR P16473 1/20 0.40
KMT2A Q03164 1/20 0.40
ALOX5 P09917 1/20 0.38
GAA P10253 1/20 0.36
DAO P14920 1/20 0.33

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
SCHEMBL341475 0.91 GABBR2 (0.67) GABBR2GABBR1LMNACYP2C9CYP3A4
SCHEMBL340904 0.91 GABBR2 (0.67) GABBR2GABBR1LMNACYP2C9CYP3A4
4-Amino-3- (5-Chlorothien-2-Yl)Butanoic Acid SCHEMBL342009 0.73 GABBR2 (1.00) GABBR2GABBR1LMNACYP2C9CYP3A4
SCHEMBL1520622 0.72 ALOX5 (0.46) GABBR2GABBR1LMNACYP2C9NFKB1
SCHEMBL4242299 0.72 GABBR2 (0.41) GABBR2GABBR1KMT2AGAADAO
SCHEMBL9489532 0.72 ALOX5 (0.49) GABBR2GABBR1LMNACYP2C9CYP3A4
SCHEMBL164188 0.71 ALOX5 (0.44) GABBR2GABBR1LMNACYP2C9NFKB1
SCHEMBL10740698 0.69 ALDH1A1 (0.44) GABBR2GABBR1LMNACYP2C9NFKB1
SCHEMBL4240529 0.67 DAO (0.45) CYP2C9DRD3CYP2D6CYP2C19MEN1
SCHEMBL21273058 0.66 ALOX5 (0.40) GABBR2GABBR1LMNACYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090252786-A1 Use of a Biologically Active Blood Serum for the Treatment of a Disorder Characterized in a Reduced Function of a GABA Receptor OWEN HOLDING LTD. (GB) 2009-10-08 US claimed

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-20090252786-A1 Use of a Biologically Active Blood Serum for the Treatment of a Disorder Characterized in a Reduced Function of a GABA Receptor GABBR1, GABBR2, GABRA2 GABBR2 2/4885GABBR1 1/4885LMNA 2397/4885

“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.