SCHEMBL1389526

SCHEMBL1389526

Cc1ccccc1C(CC(=NO)c1ccc(=O)n(C)c1)c1ccc(C(=O)NCCCC(=O)O)cc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 4/20 0.47
MAPK1 P28482 1/20 0.38
NR1H4 Q96RI1 2/20 0.37
PPARA Q07869 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
PPARG P37231 1/20 0.37
FOLH1 Q04609 1/20 0.36
GCGR P47871 1/20 0.36
EPHX2 P34913 1/20 0.36
BRD4 O60885 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
HDAC6 Q9UBN7 1/20 0.35
MAPK8 P45983 1/20 0.35
LMNA P02545 1/20 0.35
SLC6A9 P48067 1/20 0.35

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
SCHEMBL1389523 1.00 GPBAR1 (0.47) GPBAR1MAPK1NR1H4PPARANPC1
SCHEMBL1389656 0.95 GPBAR1 (0.48) GPBAR1GCGREPHX2BRD4
SCHEMBL1389660 0.95 GPBAR1 (0.48) GPBAR1GCGREPHX2BRD4
SCHEMBL369862 0.91 GPBAR1 (0.44) GPBAR1SMN1; SMN2EPHX2BRD4
SCHEMBL1389662 0.91 GPBAR1 (0.44) GPBAR1SMN1; SMN2EPHX2BRD4
SCHEMBL1389906 0.90 GPBAR1 (0.49) GPBAR1NPC1RAB9ASMN1; SMN2EPHX2
SCHEMBL1389903 0.90 GPBAR1 (0.49) GPBAR1NPC1RAB9ASMN1; SMN2EPHX2
SCHEMBL1389821 0.90 GPBAR1 (0.50) GPBAR1NPC1RAB9ASMN1; SMN2EPHX2
SCHEMBL1389824 0.90 GPBAR1 (0.50) GPBAR1NPC1RAB9ASMN1; SMN2EPHX2
SCHEMBL1389827 0.90 GPBAR1 (0.50) GPBAR1NPC1RAB9ASMN1; SMN2EPHX2

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 4 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
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 GPBAR1 1/4885MAPK1 1135/4885NR1H4 208/4885

“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.