SCHEMBL368592

SCHEMBL368592

COc1ccc(CC(=O)C(c2ccc(Br)cc2)c2ccccc2F)cn1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 15/20 0.43
HDAC3 O15379 2/20 0.43
HDAC7 Q8WUI4 2/20 0.43
HDAC8 Q9BY41 2/20 0.43
HDAC6 Q9UBN7 2/20 0.43
HDAC9 Q9UKV0 2/20 0.43
HDAC5 Q9UQL6 2/20 0.43
NCOR2 Q9Y618 2/20 0.43
KMT2A Q03164 2/20 0.40
ALDH1A1 P00352 1/20 0.40
POLB P06746 1/20 0.40
GPR183 P32249 1/20 0.38
HDAC1 Q13547 1/20 0.38
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
LMNA P02545 1/20 0.38
PKM P14618 1/20 0.38
NAMPT P43490 1/20 0.36

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
SCHEMBL369863 0.88 SMN1; SMN2 (0.40) KMT2AALDH1A1POLBGPR183MEN1
SCHEMBL1390492 0.86 RECQL (0.38) KMT2AALDH1A1POLBGPR183MEN1
SCHEMBL1390211 0.83 OXTR (0.37) KMT2AALDH1A1POLBGPR183MEN1
SCHEMBL1390282 0.82 MET (0.36) HDAC4HDAC3HDAC7HDAC8HDAC6
SCHEMBL1390254 0.79 RECQL (0.39) KMT2AALDH1A1POLBGPR183MEN1
SCHEMBL1390335 0.78 SMN1; SMN2 (0.43) KMT2AALDH1A1POLBMEN1NPC1
SCHEMBL368380 0.76 GPR183 (0.38) KMT2AALDH1A1POLBGPR183MEN1
SCHEMBL371297 0.75 MGAM (0.42) HDAC4KMT2AALDH1A1POLBGPR183
SCHEMBL369699 0.75 GPR183 (0.41) KMT2AALDH1A1POLBGPR183MEN1
SCHEMBL368252 0.75 GPR183 (0.41) KMT2AALDH1A1GPR183MEN1NPC1

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 HDAC4 4187/4885HDAC3 4077/4885HDAC7 4037/4885

“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.