SCHEMBL368380

SCHEMBL368380

COc1ccc(CC(=O)C(c2ccc(Br)cc2)c2scnc2C)cn1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR183 P32249 3/20 0.38
ALDH1A1 P00352 3/20 0.35
KMT2A Q03164 3/20 0.35
POLB P06746 1/20 0.35
MET P08581 1/20 0.34
MEN1 O00255 2/20 0.33
NPC1 O15118 2/20 0.33
LMNA P02545 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
RAB9A P51151 2/20 0.33
CHRM4 P08173 1/20 0.33
S1PR2 O95136 1/20 0.33
S1PR4 O95977 1/20 0.33
MAPT P10636 1/20 0.33
S1PR1 P21453 1/20 0.33
AGTR1 P30556 1/20 0.33
OPRK1 P41145 1/20 0.33
MDM2 Q00987 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
ADORA2A P29274 2/20 0.33

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 0.76 SMN1; SMN2 (0.40) GPR183ALDH1A1KMT2APOLBMEN1
SCHEMBL368592 0.76 HDAC4 (0.43) GPR183ALDH1A1KMT2APOLBMEN1
SCHEMBL1390211 0.76 OXTR (0.37) GPR183ALDH1A1KMT2APOLBMET
SCHEMBL1390254 0.76 RECQL (0.39) GPR183ALDH1A1KMT2APOLBMET
SCHEMBL364765 0.76 GPR183 (0.40) GPR183KMT2AMAPTKCNH2
SCHEMBL369699 0.74 GPR183 (0.41) GPR183ALDH1A1KMT2APOLBMET
SCHEMBL368252 0.74 GPR183 (0.41) GPR183ALDH1A1KMT2AMETMEN1
SCHEMBL1390492 0.73 RECQL (0.38) GPR183ALDH1A1KMT2APOLBMET
SCHEMBL369190 0.73 GPR183 (0.41) GPR183ALDH1A1KMT2APOLBMET
SCHEMBL1390305 0.72 GPR183 (0.40) GPR183ALDH1A1KMT2AMETMEN1

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 80/4885ALDH1A1 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.