SCHEMBL368646

SCHEMBL368646

CN(C)c1ccc(C(CC(=O)c2ccncc2)c2c[nH]c3ccccc23)cc1

nearest known ligand 0.66

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 14/20 0.66
MGAM O43451 13/20 0.66
SI P14410 13/20 0.66
MGAM2 Q2M2H8 13/20 0.66
KMT2A Q03164 7/20 0.62
MEN1 O00255 6/20 0.62
ALDH1A1 P00352 6/20 0.62
MAPT P10636 6/20 0.62
L3MBTL1 Q9Y468 6/20 0.62
MAPK1 P28482 3/20 0.62
TDP1 Q9NUW8 2/20 0.62
USP2 O75604 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
MCL1 Q07820 3/20 0.57
LMNA P02545 1/20 0.57

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
SCHEMBL368406 0.86 GPBAR1 (0.69) GAAMGAMSIMGAM2KMT2A
SCHEMBL10280819 0.86 GPBAR1 (0.69) GAAMGAMSIMGAM2KMT2A
SCHEMBL368407 0.86 GPBAR1 (0.69) GAAMGAMSIMGAM2KMT2A
SCHEMBL369701 0.82 GPBAR1 (0.68) GAAKMT2AMEN1ALDH1A1MAPT
SCHEMBL13189970 0.81 MGAM (1.00) GAAMGAMSIMGAM2KMT2A
SCHEMBL369768 0.80 VDR (0.51) GAAMGAMSIMGAM2KMT2A
SCHEMBL361906 0.80 GPBAR1 (0.57) GAAMGAMSIMGAM2KMT2A
SCHEMBL18662725 0.80 MGAM (1.00) GAAMGAMSIMGAM2KMT2A
SCHEMBL18662724 0.80 MGAM (1.00) GAAMGAMSIMGAM2KMT2A
SCHEMBL30379225 0.80 MGAM (1.00) GAAMGAMSIMGAM2KMT2A

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 6 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 claimed
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 GAA 2696/4885MGAM 2443/4885SI 3902/4885

“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.