SCHEMBL362134

SCHEMBL362134

CON(C)C(=O)C[C@H](c1ccc(Br)cc1)c1ccccc1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 3/20 0.46
TDP1 Q9NUW8 3/20 0.42
MAPT P10636 2/20 0.42
LMNA P02545 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.40
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
ALDH1A1 P00352 1/20 0.38
GAA P10253 2/20 0.38
MGAM O43451 1/20 0.38
SI P14410 1/20 0.38
MGAM2 Q2M2H8 1/20 0.38
TACR1 P25103 1/20 0.38
HPGD P15428 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 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
SCHEMBL362062 1.00 GPBAR1 (0.46) GPBAR1TDP1MAPTLMNASMN1; SMN2
SCHEMBL362061 1.00 GPBAR1 (0.46) GPBAR1TDP1MAPTLMNASMN1; SMN2
SCHEMBL363933 0.87 NPSR1 (0.42) TDP1MAPTLMNASMN1; SMN2NPSR1
SCHEMBL363503 0.84 GPBAR1 (0.53) GPBAR1TDP1MAPTLMNASMN1; SMN2
SCHEMBL1390285 0.84 GPBAR1 (0.53) GPBAR1TDP1MAPTLMNASMN1; SMN2
SCHEMBL366084 0.83 LMNA (0.41) TDP1MAPTLMNASMN1; SMN2NPSR1
SCHEMBL1390580 0.83 GPBAR1 (0.52) GPBAR1TDP1MAPTLMNASMN1; SMN2
SCHEMBL363622 0.83 HPGD (0.40) TDP1MAPTLMNASMN1; SMN2NPSR1
SCHEMBL363625 0.83 TACR1 (0.40) TDP1MAPTLMNASMN1; SMN2NPSR1
SCHEMBL363757 0.83 LMNA (0.41) TDP1MAPTLMNASMN1; SMN2NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2780330-B1 1-PYRIDAZINYL-HYDROXYIMINO- 3- PHENYL- PROPANES AS GPBAR1 AGONISTS HOFFMANN LA ROCHE (CH) 2016-01-06 EP disclosed
US-9090565-B2 1-pyridazinyl-hydroxyimino-3-phenyl-propanes HOFFMANN-LA ROCHE INC. (US) 2015-07-28 US disclosed
US-20150025110-A1 1-CYCLOALKYL- OR 1-HETEROCYCLYL-HYDROXYIMINO-3-PHENYL-PROPANES F. HOFFMANN-LA ROCHE AG (CH) 2015-01-22 US disclosed
EP-2780330-A1 1-PYRIDAZINYL-HYDROXYIMINO- 3- PHENYL- PROPANES AS GPBAR1 AGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2014-09-24 EP disclosed
EP-2771313-A1 1-CYCLOALKYL- OR 1-HETEROCYCLYL-HYDROXYIMINO-3-PHENYL-PROPANES F.HOFFMANN-LA ROCHE AG (CH) 2014-09-03 EP disclosed
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
WO-2013072265-A1 1-PYRIDAZINYL-HYDROXYIMINO- 3- PHENYL- PROPANES AS GPBAR1 AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2013-05-23 WO disclosed
EP-2593426-A1 1-HYDROXYIMINO-3-PHENYL-PROPANES F.HOFFMANN-LA ROCHE AG (CH) 2013-05-22 EP disclosed
US-20130123267-A1 1-PYRIDAZINYL-HYDROXYIMINO-3-PHENYL-PROPANES HOFFMANN-LA ROCHE INC. (US) 2013-05-16 US disclosed
WO-2013060653-A1 1-CYCLOALKYL- OR 1-HETEROCYCLYL-HYDROXYIMINO-3-PHENYL-PROPANES F. HOFFMANN-LA ROCHE AG (CH) 2013-05-02 WO disclosed
US-20130109718-A1 1-CYCLOALKYL- OR 1-HETEROCYCLYL-HYDROXYIMINO-3-PHENYL-PROPANES HOFFMANN-LA ROCHE INC. (US) 2013-05-02 US 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 (4 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-20150025110-A1 1-CYCLOALKYL- OR 1-HETEROCYCLYL-HYDROXYIMINO-3-PHENYL-PROPANES GPBAR1, GPR119, ADRB1 GPBAR1 1/4885TDP1 2623/4885MAPT 4694/4885
US-20130123267-A1 1-PYRIDAZINYL-HYDROXYIMINO-3-PHENYL-PROPANES GPBAR1, ADRB1, GPER1 GPBAR1 1/4885TDP1 2643/4885MAPT 4489/4885
US-20120010190-A1 1-HYDROXYIMINO-3-PHENYL-PROPANES GPBAR1, GPR119, ADRB1 GPBAR1 1/4885TDP1 2650/4885MAPT 4149/4885
US-20130109718-A1 1-CYCLOALKYL- OR 1-HETEROCYCLYL-HYDROXYIMINO-3-PHENYL-PROPANES GPBAR1, GPR119, ADRB1 GPBAR1 1/4885TDP1 2623/4885MAPT 4694/4885

“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.