SCHEMBL368576

SCHEMBL368576

Cc1ccccc1C(CC(=O)c1ccc(=O)n(C)c1)c1ccc(C(=O)NCC(O)C(F)(F)F)cc1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 1/20 0.38
BRD4 O60885 2/20 0.37
GPBAR1 Q8TDU6 4/20 0.36
GABRA5 P31644 1/20 0.36
TACR1 P25103 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
EPHX2 P34913 1/20 0.34
DGAT1 O75907 1/20 0.33
MEN1 O00255 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33
CREBBP Q92793 1/20 0.33
CTSA P10619 1/20 0.33
MLYCD O95822 1/20 0.32

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
SCHEMBL1389645 0.90 GPBAR1 (0.45) SLC6A9BRD4GPBAR1GABRA5TACR1
SCHEMBL1389649 0.90 GPBAR1 (0.45) SLC6A9BRD4GPBAR1GABRA5TACR1
SCHEMBL1389647 0.90 GPBAR1 (0.45) SLC6A9BRD4GPBAR1GABRA5TACR1
SCHEMBL1390288 0.87 BRD4 (0.38) SLC6A9BRD4GPBAR1GABRA5NPC1
SCHEMBL1390287 0.87 BRD4 (0.38) SLC6A9BRD4GPBAR1GABRA5NPC1
SCHEMBL1390429 0.85 SLC6A9 (0.43) SLC6A9BRD4GPBAR1EPHX2MEN1
SCHEMBL1390108 0.84 SLC6A9 (0.41) SLC6A9BRD4GPBAR1RAB9ASMN1; SMN2
SCHEMBL1390430 0.84 EPHX2 (0.40) SLC6A9BRD4GPBAR1NPC1RAB9A
SCHEMBL1390381 0.83 GCGR (0.43) BRD4GPBAR1EPHX2
SCHEMBL1390296 0.83 GPBAR1 (0.40) SLC6A9BRD4GPBAR1NPC1RAB9A

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 SLC6A9 1778/4885BRD4 3540/4885GPBAR1 1/4885

“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.