SCHEMBL363933

SCHEMBL363933

CON(C)C(=O)CC(c1cccc(Br)c1)c1ccccc1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 4/20 0.42
TDP1 Q9NUW8 2/20 0.42
LMNA P02545 2/20 0.42
MAPT P10636 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
GAA P10253 3/20 0.41
MGAM O43451 1/20 0.41
SI P14410 1/20 0.41
MGAM2 Q2M2H8 1/20 0.41
CTSA P10619 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
TACR1 P25103 1/20 0.38
KMT2A Q03164 3/20 0.37
HPGD P15428 2/20 0.37
CYP3A4 P08684 2/20 0.37
CYP2C9 P11712 2/20 0.37
CYP2C19 P33261 2/20 0.37
MEN1 O00255 2/20 0.37
CYP1A2 P05177 1/20 0.37
MAPK1 P28482 1/20 0.37

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
SCHEMBL362061 0.87 GPBAR1 (0.46) NPSR1TDP1LMNAMAPTSMN1; SMN2
SCHEMBL362062 0.87 GPBAR1 (0.46) NPSR1TDP1LMNAMAPTSMN1; SMN2
SCHEMBL362134 0.87 GPBAR1 (0.46) NPSR1TDP1LMNAMAPTSMN1; SMN2
SCHEMBL364753 0.82 CTSA (0.56) LMNAGAAMGAMSIMGAM2
SCHEMBL15427664 0.79 KCNA5 (0.44) LMNACTSAALDH1A1
SCHEMBL363503 0.77 GPBAR1 (0.53) TDP1LMNAMAPTSMN1; SMN2CTSA
SCHEMBL1390285 0.77 GPBAR1 (0.53) TDP1LMNAMAPTSMN1; SMN2CTSA
SCHEMBL15949106 0.76 KMT2A (0.44) NPSR1TDP1LMNAMAPTSMN1; SMN2
SCHEMBL1390580 0.76 GPBAR1 (0.52) TDP1LMNAMAPTSMN1; SMN2CTSA
Lithium Ion SCHEMBL363471 0.75 GPBAR1 (0.44) NPSR1TDP1LMNAMAPTSMN1; 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2593426-B1 1-HYDROXYIMINO-3-PHENYL-PROPANES HOFFMANN LA ROCHE (CH) 2014-08-20 EP disclosed
US-8765730-B2 1-hydroxyimino-3-phenyl-propanes Hoffmann-La Roche Inc (US) 2014-07-01 US disclosed
EP-2593426-A1 1-HYDROXYIMINO-3-PHENYL-PROPANES F.HOFFMANN-LA ROCHE AG (CH) 2013-05-22 EP disclosed
WO-2012007365-A1 1-HYDROXYIMINO-3-PHENYL-PROPANES F. HOFFMANN-LA ROCHE AG (CH) 2012-01-19 WO disclosed
US-20120010190-A1 1-HYDROXYIMINO-3-PHENYL-PROPANES F. HOFFMANN-LA ROCHE AG (CH) 2012-01-12 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-20120010190-A1 1-HYDROXYIMINO-3-PHENYL-PROPANES GPBAR1, GPR119, ADRB1 NPSR1 319/4885TDP1 2650/4885LMNA 2651/4885

“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.