SCHEMBL364403

SCHEMBL364403

COc1ccc(/C=C/C(=O)c2ccc(F)cc2SC)cn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.50
NPC1 O15118 4/20 0.50
LMNA P02545 3/20 0.50
RAB9A P51151 3/20 0.50
PADI4 Q9UM07 1/20 0.50
KMT2A Q03164 2/20 0.48
CTSL P07711 2/20 0.46
MAOB P27338 2/20 0.43
MAOA P21397 1/20 0.43
GAA P10253 2/20 0.43
POLB P06746 1/20 0.43
MAPT P10636 2/20 0.42
ACHE P22303 1/20 0.42
BACE1 P56817 1/20 0.42
ALDH1A1 P00352 2/20 0.41
HPGD P15428 1/20 0.41
TUBB1 Q9H4B7 2/20 0.41
TUBB4A P04350 1/20 0.41
TUBB P07437 1/20 0.41
TUBA3C P0DPH7 1/20 0.41

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
SCHEMBL363719 0.84 LMNA (0.52) SMN1; SMN2NPC1LMNARAB9APADI4
SCHEMBL364142 0.78 LMNA (0.50) SMN1; SMN2NPC1LMNARAB9APADI4
SCHEMBL363768 0.78 LMNA (0.63) SMN1; SMN2LMNAKMT2ACTSLMAOB
SCHEMBL1390413 0.78 MAOA (0.51) SMN1; SMN2NPC1LMNARAB9APADI4
SCHEMBL363978 0.77 CXCL12 (0.64) SMN1; SMN2NPC1LMNARAB9APADI4
SCHEMBL364871 0.77 MEN1 (0.47) SMN1; SMN2NPC1LMNARAB9APADI4
SCHEMBL365186 0.76 ABCG2 (0.51) SMN1; SMN2NPC1LMNARAB9APADI4
SCHEMBL363188 0.74 MAOB (0.60) KMT2AMAOBMAOAMEN1ABCG2
SCHEMBL28608967 0.72 F3 (0.56) SMN1; SMN2NPC1LMNARAB9AKMT2A
SCHEMBL363641 0.72 CXCL12 (0.59) SMN1; SMN2NPC1LMNARAB9APADI4

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 2264/4885NPC1 1074/4885LMNA 2651/4885

“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.