SCHEMBL5474480

SCHEMBL5474480

C[C@@H](N[C@@H]1CCC[C@H]1N[C@H](C)c1ccccc1)c1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.67
L3MBTL1 Q9Y468 1/20 0.67
RECQL P46063 1/20 0.53
POLB P06746 2/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
ATM Q13315 1/20 0.50
KDM1A O60341 2/20 0.46
EPHX1 P07099 2/20 0.45
LMNA P02545 2/20 0.45
USP2 O75604 1/20 0.44
ALOX15 P16050 1/20 0.44
HPGD P15428 1/20 0.43
KCNQ3 O43525 1/20 0.42
KCNQ2 O43526 1/20 0.42
GRIA4 P48058 2/20 0.41
TAAR1 Q96RJ0 1/20 0.41
CYP2D6 P10635 2/20 0.41
CHRM2 P08172 1/20 0.40
HTR1A P08908 1/20 0.40

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
SCHEMBL5474484 1.00 GAA (0.67) GAAL3MBTL1RECQLPOLBMEN1
SCHEMBL6688840 0.88 GAA (0.57) GAAL3MBTL1RECQLPOLBMEN1
SCHEMBL6688839 0.88 GAA (0.57) GAAL3MBTL1RECQLPOLBMEN1
SCHEMBL27354336 0.88 GAA (0.57) GAAL3MBTL1RECQLPOLBMEN1
SCHEMBL7176506 0.88 GAA (0.57) GAAL3MBTL1RECQLPOLBMEN1
SCHEMBL7176509 0.88 GAA (0.57) GAAL3MBTL1RECQLPOLBMEN1
SCHEMBL9739600 0.88 GAA (0.57) GAAL3MBTL1RECQLPOLBMEN1
SCHEMBL6689439 0.88 GAA (0.57) GAAL3MBTL1RECQLPOLBMEN1
SCHEMBL7176504 0.88 GAA (0.57) GAAL3MBTL1RECQLPOLBMEN1
SCHEMBL9739593 0.88 GAA (0.57) GAAL3MBTL1RECQLPOLBMEN1

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-20070161803-A1 Method of asymmetrically reducing 4-[5-(imidazol-1-yl)-2-methylbenzoyl]-3,5- dimethylbenzoic acid or ester thereof MITSUBISHI PHARMA CORPORATION (JP) 2007-07-12 US disclosed
EP-1719764-A1 METHOD OF ASYMMETRICALLY REDUCING 4- 5-(IMIDAZOL-1-YL)-2-MET HYLBENZOYL -3,5-DIMETHYL-BENZOIC ACID OR ESTER THEREOF Mitsubishi Pharma Corporation (JP) 2006-11-08 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-20070161803-A1 Method of asymmetrically reducing 4-[5-(imidazol-1-yl)-2-methylbenzoyl]-3,5- dimethylbenzoic acid or ester thereof DDC, AADAC, ALG3 GAA 1342/4885L3MBTL1 1044/4885RECQL 4883/4885

“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.