SCHEMBL369768

SCHEMBL369768

Cc1[nH]c2ccccc2c1C(CC(=O)c1ccncc1)c1ccc(N(C)C)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VDR P11473 3/20 0.51
GPBAR1 Q8TDU6 1/20 0.47
GAA P10253 6/20 0.43
MGAM O43451 5/20 0.43
SI P14410 5/20 0.43
MGAM2 Q2M2H8 5/20 0.43
MAPT P10636 8/20 0.43
KMT2A Q03164 6/20 0.43
L3MBTL1 Q9Y468 5/20 0.43
MEN1 O00255 5/20 0.43
PSMD14 O00487 1/20 0.43
ALDH1A1 P00352 4/20 0.42
MAPK1 P28482 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
LMNA P02545 2/20 0.39
MCL1 Q07820 1/20 0.39
NPC1 O15118 1/20 0.39
KDM4E B2RXH2 1/20 0.39
HTT P42858 1/20 0.39
USP2 O75604 1/20 0.39

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
SCHEMBL10280773 0.86 GPBAR1 (0.68) VDRGPBAR1GAAMAPTKMT2A
SCHEMBL368596 0.86 GPBAR1 (0.68) VDRGPBAR1GAAMAPTKMT2A
SCHEMBL368597 0.86 GPBAR1 (0.68) VDRGPBAR1GAAMAPTKMT2A
SCHEMBL369701 0.81 GPBAR1 (0.68) GPBAR1GAAMAPTKMT2AL3MBTL1
SCHEMBL368646 0.80 GAA (0.66) GAAMGAMSIMGAM2MAPT
SCHEMBL1390078 0.78 GPBAR1 (0.56) GPBAR1GAAMGAMSIMGAM2
SCHEMBL361906 0.77 GPBAR1 (0.57) GPBAR1GAAMGAMSIMGAM2
SCHEMBL363621 0.75 GPBAR1 (0.54) GPBAR1L3MBTL1ALDH1A1LMNAKDM4E
SCHEMBL369477 0.74 GPBAR1 (0.53) GPBAR1GAAMGAMSIMGAM2
SCHEMBL29132398 0.74 MAPT (0.50) VDRGAAMAPTKMT2AMEN1

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 VDR 730/4885GPBAR1 1/4885GAA 2696/4885

“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.