SCHEMBL2123641

SCHEMBL2123641

CCC(CC)(C(=O)O)C(=O)Oc1c(Br)cncc1[N+](=O)[O-]

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.34
MAPT P10636 3/20 0.32
HPGD P15428 1/20 0.32
HTT P42858 2/20 0.31
CRHBP P24387 1/20 0.31
CRHR2 Q13324 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
ALDH1A1 P00352 1/20 0.30
POLB P06746 1/20 0.30
MEN1 O00255 1/20 0.30
LMNA P02545 1/20 0.30
KMT2A Q03164 1/20 0.30
NOD2 Q9HC29 1/20 0.30

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
SCHEMBL3470550 0.76 MAPT (0.34) GAAMAPTHPGDHTTCRHBP
SCHEMBL2565825 0.75 GAA (0.35) GAAMAPTHPGDSMN1; SMN2POLB
SCHEMBL3487176 0.73 ALDH1A1 (0.39) GAAMAPTHPGDSMN1; SMN2ALDH1A1
SCHEMBL27675643 0.72 ALDH1A1 (0.40) GAAMAPTHPGDCRHBPCRHR2
SCHEMBL20517661 0.71 ALDH1A1 (0.43) GAAMAPTHTTALDH1A1MEN1
SCHEMBL17915374 0.70 MAPT (0.45) MAPTSMN1; SMN2ALDH1A1POLBMEN1
SCHEMBL26162639 0.67 ALDH1A1 (0.35) GAAMAPTHTTSMN1; SMN2ALDH1A1
SCHEMBL26162776 0.67 POLB (0.34) GAAMAPTHPGDHTTALDH1A1
SCHEMBL2298371 0.67 ATM (0.41) GAAMAPTHPGDHTTSMN1; SMN2
SCHEMBL25345518 0.66 ALDH1A1 (0.39) GAAMAPTHPGDHTTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120101123-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2012-04-26 US disclosed
EP-2443115-A1 COMPOUNDS Glaxo Group Limited (GB) 2012-04-25 EP 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-20120101123-A1 COMPOUNDS CYP11B2, CYP11B1, GPR119 GAA 23/4885MAPT 719/4885HPGD 517/4885

“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.