SCHEMBL1389527

SCHEMBL1389527

Cc1cc(C(CC(c2ccc(N3CCN(S(C)(=O)=O)CC3)cc2)c2ccccc2C)=NO)ccn1

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 7/20 0.63
MAPT P10636 5/20 0.40
USP2 O75604 2/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 4/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
ALDH1A1 P00352 1/20 0.39
POLB P06746 1/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
NPSR1 Q6W5P4 1/20 0.37
CTSA P10619 1/20 0.37
LMNA P02545 1/20 0.36
THRB P10828 1/20 0.36
KDM4E B2RXH2 2/20 0.36
RORC P51449 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
SCHEMBL1389522 1.00 GPBAR1 (0.63) GPBAR1MAPTUSP2HTTSMN1; SMN2
SCHEMBL1389525 1.00 GPBAR1 (0.63) GPBAR1MAPTUSP2HTTSMN1; SMN2
SCHEMBL1389528 1.00 GPBAR1 (0.63) GPBAR1MAPTUSP2HTTSMN1; SMN2
SCHEMBL1389663 0.90 GPBAR1 (0.49) GPBAR1MAPTUSP2HTTSMN1; SMN2
SCHEMBL1389667 0.90 GPBAR1 (0.49) GPBAR1MAPTUSP2HTTSMN1; SMN2
SCHEMBL1389666 0.90 GPBAR1 (0.49) GPBAR1MAPTUSP2HTTSMN1; SMN2
SCHEMBL1390152 0.90 GPBAR1 (0.50) GPBAR1MAPTUSP2HTTSMN1; SMN2
SCHEMBL1390155 0.90 GPBAR1 (0.50) GPBAR1MAPTUSP2HTTSMN1; SMN2
SCHEMBL1390157 0.90 GPBAR1 (0.50) GPBAR1MAPTUSP2HTTSMN1; SMN2
SCHEMBL15949153 0.89 GPBAR1 (0.49) GPBAR1MAPTUSP2HTTSMN1; SMN2

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
US-8765730-B2 1-hydroxyimino-3-phenyl-propanes Hoffmann-La Roche Inc (US) 2014-07-01 US claimed
US-20120010190-A1 1-HYDROXYIMINO-3-PHENYL-PROPANES F. HOFFMANN-LA ROCHE AG (CH) 2012-01-12 US 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 1/4885MAPT 4149/4885USP2 3770/4885

“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.