SCHEMBL370462

SCHEMBL370462

CCCC(C(=O)Cc1ccc(OC)nc1)c1ccc(Br)cc1F

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMO Q99835 1/20 0.36
GPR183 P32249 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.34
MET P08581 1/20 0.34
APLNR P35414 2/20 0.33
GRIN1 Q05586 1/20 0.33
GRIN2B Q13224 1/20 0.33
KDM4E B2RXH2 1/20 0.33
KMT2A Q03164 3/20 0.33
MEN1 O00255 2/20 0.33
NPC1 O15118 2/20 0.33
OXTR P30559 1/20 0.33
GRM2 Q14416 1/20 0.33
ACACB O00763 1/20 0.33
RAB9A P51151 1/20 0.33
LMNA P02545 1/20 0.33
PKM P14618 1/20 0.33
DAO P14920 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
SCHEMBL369699 0.83 GPR183 (0.41) SMOGPR183SMN1; SMN2METKDM4E
SCHEMBL1390282 0.79 MET (0.36) GPR183METKMT2AMEN1NPC1
SCHEMBL1390360 0.79 GPR183 (0.38) GPR183ACACB
SCHEMBL1390305 0.77 GPR183 (0.40) GPR183SMN1; SMN2METKDM4EKMT2A
SCHEMBL363530 0.76 NNMT (0.39) GPR183APLNRGRIN2B
SCHEMBL1390492 0.75 RECQL (0.38) GPR183SMN1; SMN2METGRIN1GRIN2B
SCHEMBL368592 0.72 HDAC4 (0.43) GPR183KMT2AMEN1NPC1LMNA
SCHEMBL1390168 0.72 GPR183 (0.38) GPR183SMN1; SMN2METKMT2AMEN1
SCHEMBL1390211 0.72 OXTR (0.37) GPR183SMN1; SMN2METKMT2AMEN1
SCHEMBL368252 0.72 GPR183 (0.41) GPR183SMN1; SMN2METKDM4EKMT2A

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 SMO 3180/4885GPR183 80/4885SMN1; SMN2 2264/4885

“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.