SCHEMBL363798

SCHEMBL363798

Cc1cc(C#CC(=O)c2ccccn2)cc(C)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.45
CES2 O00748 1/20 0.43
CES1 P23141 1/20 0.43
TLR7 Q9NYK1 1/20 0.43
L3MBTL1 Q9Y468 3/20 0.42
LMNA P02545 1/20 0.42
NAPRT Q6XQN6 1/20 0.42
P4HTM Q9NXG6 1/20 0.42
CTNNB1 P35222 1/20 0.41
WNT3A P56704 1/20 0.41
GRM5 P41594 2/20 0.40
KMT2A Q03164 1/20 0.39
VCP P55072 1/20 0.39
GSK3B P49841 1/20 0.38
NPC1 O15118 4/20 0.38
RAB9A P51151 4/20 0.38
MAPT P10636 2/20 0.38
GRM4 Q14833 1/20 0.38
GAA P10253 1/20 0.38
NFKB1 P19838 1/20 0.38

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
SCHEMBL364451 0.78 VCP (0.58) ALDH1A1KMT2AVCPNPC1RAB9A
SCHEMBL1390131 0.73 GRM5 (0.50) GRM5VCP
SCHEMBL1390029 0.72 VCP (0.63) ALDH1A1LMNAGRM5KMT2AVCP
SCHEMBL17053169 0.70 ALDH1A1 (0.37) ALDH1A1LMNAKMT2AVCPMAPT
SCHEMBL7522226 0.68 CES2 (0.61) ALDH1A1CES2CES1TLR7L3MBTL1
SCHEMBL12235200 0.67 VCP (0.51) ALDH1A1KMT2AVCPNPC1RAB9A
SCHEMBL17053212 0.67 LMNA (0.45) ALDH1A1CES2CES1TLR7L3MBTL1
SCHEMBL30503379 0.67 CES2 (0.59) ALDH1A1CES2CES1L3MBTL1LMNA
SCHEMBL5633514 0.67 CES2 (0.59) ALDH1A1CES2CES1TLR7L3MBTL1
SCHEMBL2843060 0.67 CES2 (0.59) ALDH1A1CES2CES1L3MBTL1LMNA

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 ALDH1A1 132/4885CES2 2521/4885CES1 548/4885

“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.