SCHEMBL362959

SCHEMBL362959

COc1ccc(C(=O)CC(c2ccc(Br)cc2)c2ccc(C)cc2F)cn1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GPR183 P32249 8/20 0.39
KCNH2 Q12809 1/20 0.39
NNMT P40261 1/20 0.38
GABRA5 P31644 1/20 0.36
MGAM O43451 2/20 0.36
GAA P10253 2/20 0.36
SI P14410 2/20 0.36
MGAM2 Q2M2H8 2/20 0.36
KMT2A Q03164 1/20 0.35
CTSA P10619 1/20 0.35
HDAC3 O15379 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
MAPT P10636 1/20 0.34
GPR35 Q9HC97 1/20 0.34
GPR55 Q9Y2T6 1/20 0.34

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
SCHEMBL1390583 0.91 GPR183 (0.39) GPR183KCNH2NNMTMGAMGAA
SCHEMBL362682 0.89 KMT2A (0.44) GPR183KCNH2NNMTGABRA5MGAM
SCHEMBL371297 0.87 MGAM (0.42) GPR183KCNH2NNMTMGAMGAA
SCHEMBL1390365 0.86 GPR183 (0.39) GPR183KCNH2NNMTMGAMGAA
SCHEMBL364075 0.83 KMT2A (0.39) GPR183KCNH2NNMTMGAMGAA
SCHEMBL1390485 0.82 KMT2A (0.45) GPR183KCNH2NNMTMGAMGAA
SCHEMBL1390445 0.82 GPR183 (0.37) GPR183KCNH2NNMTMGAMGAA
SCHEMBL1390214 0.82 CTSA (0.45) GPR183KCNH2NNMTMGAMGAA
SCHEMBL1390215 0.82 CTSA (0.45) GPR183KCNH2NNMTMGAMGAA
SCHEMBL1390664 0.82 CTSA (0.45) GPR183KCNH2NNMTMGAMGAA

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 GPR183 80/4885KCNH2 1276/4885NNMT 3132/4885

“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.