SCHEMBL17377366

SCHEMBL17377366

Oc1ccc(Nc2nnc(-c3ccc(I)cc3)o2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SPHK2 Q9NRA0 1/20 1.00
ACHE P22303 1/20 0.58
GSK3B P49841 15/20 0.56
MEN1 O00255 1/20 0.52
NPC1 O15118 1/20 0.52
TP53 P04637 1/20 0.52
MAPK1 P28482 1/20 0.52
RAB9A P51151 1/20 0.52
KMT2A Q03164 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
HDAC1 Q13547 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49

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
SCHEMBL17377392 0.85 SPHK2 (0.74) SPHK2ACHEGSK3BMEN1NPC1
SCHEMBL3532271 0.85 SPHK2 (0.74) SPHK2ACHEGSK3BMEN1NPC1
SCHEMBL19075484 0.85 SPHK2 (0.74) SPHK2ACHEGSK3BMEN1NPC1
SCHEMBL28615859 0.84 GSK3B (0.78) SPHK2ACHEGSK3BMEN1NPC1
SCHEMBL17377349 0.84 GSK3B (0.78) SPHK2ACHEGSK3BMEN1NPC1
SCHEMBL17377338 0.81 GSK3B (0.75) SPHK2ACHEGSK3BMEN1NPC1
SCHEMBL17377376 0.81 GSK3B (0.86) SPHK2ACHEGSK3BMEN1NPC1
SCHEMBL13171355 0.76 ACHE (0.67) SPHK2ACHEGSK3BMEN1NPC1
SCHEMBL3534097 0.74 SPHK2 (0.59) SPHK2ACHEGSK3BMEN1NPC1
SCHEMBL24176593 0.74 ACHE (0.59) SPHK2ACHEGSK3BMEN1NPC1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9828351-B2 Enzyme interacting agents MONASH UNIVERSITY (AU) 2017-11-28 US disclosed
US-9828351-B2 Enzyme interacting agents MONASH UNIVERSITY (AU) 2017-11-28 US disclosed
US-20170190698-A1 ENZYME INTERACTING AGENTS CENTRAL ADELAIDE LOCAL HEALTH NETWORK INCORPORATED (AU) 2017-07-06 US disclosed
US-20170190698-A1 ENZYME INTERACTING AGENTS CENTRAL ADELAIDE LOCAL HEALTH NETWORK INCORPORATED (AU) 2017-07-06 US disclosed
US-20170190698-A1 ENZYME INTERACTING AGENTS CENTRAL ADELAIDE LOCAL HEALTH NETWORK INCORPORATED (AU) 2017-07-06 US disclosed
EP-3160949-A1 ENZYME INTERACTING AGENTS Monash University (AU) 2017-05-03 EP disclosed
WO-2015196258-A1 ENZYME INTERACTING AGENTS MONASH UNIVERSITY (AU) 2015-12-30 WO 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-20170190698-A1 ENZYME INTERACTING AGENTS SMPD1, SMPD2, ASAH1 SPHK2 155/4885ACHE 430/4885GSK3B 3195/4885

“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.