SCHEMBL369863

SCHEMBL369863

COc1ccc(CC(=O)C(c2ccc(Br)cc2)c2ccccc2Cl)cn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.40
ALDH1A1 P00352 5/20 0.40
KMT2A Q03164 4/20 0.40
POLB P06746 2/20 0.40
PKM P14618 3/20 0.39
MAPT P10636 3/20 0.39
AGTR1 P30556 3/20 0.39
HTT P42858 3/20 0.39
RAB9A P51151 3/20 0.39
NPSR1 Q6W5P4 3/20 0.39
XBP1 P17861 2/20 0.39
MAPK1 P28482 2/20 0.39
GPR55 Q9Y2T6 1/20 0.39
GPR183 P32249 1/20 0.38
MEN1 O00255 3/20 0.38
LMNA P02545 2/20 0.38
NPC1 O15118 2/20 0.38
HSP90AA1 P07900 2/20 0.36
TLR9 Q9NR96 2/20 0.36
CNR1 P21554 2/20 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
SCHEMBL1390335 0.91 SMN1; SMN2 (0.43) SMN1; SMN2ALDH1A1KMT2APOLBPKM
SCHEMBL368592 0.88 HDAC4 (0.43) ALDH1A1KMT2APOLBPKMGPR183
SCHEMBL1390376 0.87 TAS2R14 (0.41) SMN1; SMN2ALDH1A1KMT2APOLBPKM
SCHEMBL1390254 0.83 RECQL (0.39) SMN1; SMN2ALDH1A1KMT2APOLBPKM
SCHEMBL1390492 0.82 RECQL (0.38) SMN1; SMN2ALDH1A1KMT2APOLBPKM
SCHEMBL1390211 0.81 OXTR (0.37) SMN1; SMN2ALDH1A1KMT2APOLBPKM
SCHEMBL368380 0.76 GPR183 (0.38) SMN1; SMN2ALDH1A1KMT2APOLBPKM
SCHEMBL1390283 0.75 CTSA (0.44) SMN1; SMN2ALDH1A1KMT2APOLBGPR183
SCHEMBL369245 0.75 SMN1; SMN2 (0.40) SMN1; SMN2ALDH1A1KMT2APKMMAPT
SCHEMBL369699 0.75 GPR183 (0.41) SMN1; SMN2ALDH1A1KMT2APOLBPKM

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 SMN1; SMN2 2264/4885ALDH1A1 132/4885KMT2A 3981/4885

“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.