SCHEMBL12246755

SCHEMBL12246755

[C-]#[N+]c1cc(C#N)cc(B(O)O)c1

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 2/20 0.47
▸ TTR P02766 2/20 0.31
▸ ALB P02768 2/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ P4HB P07237 1/20 0.30

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
SCHEMBL12587111 0.80 TTR (0.36) TTRALBMEN1KMT2A
SCHEMBL27908 0.80 ENPP2 (0.61) ENPP2TTRALBMEN1KMT2A
SCHEMBL15602898 0.80 ENPP2 (0.61) ENPP2TTRALBMEN1KMT2A
SCHEMBL10251503 0.75 TTR (0.39) TTRALBMEN1KMT2A
1,3-Propanediol SCHEMBL29185453 0.73 ENPP2 (0.50) ENPP2TTRALBMEN1KMT2A
SCHEMBL29952148 0.72 ENPP2 (0.53) ENPP2TTRALBMEN1KMT2A
SCHEMBL12271100 0.71 ENPP2 (0.57) ENPP2MEN1KMT2AP4HB
SCHEMBL12247412 0.71 ENPP2 (0.38) ENPP2TTR
SCHEMBL3326314 0.71 ENPP2 (0.52) ENPP2TTRALBMEN1KMT2A
SCHEMBL874242 0.71 ENPP2 (0.52) ENPP2

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
US-9627626-B2 Compounds for organic electroluminescent devices MERCK PATENT GMBH (DE) 2017-04-18 — — US disclosed
US-8921359-B2 Inhibitors of beta-secretase VITAE PHARMACEUTICALS, INC. (US) 2014-12-30 — — US disclosed
US-20130285036-A1 COMPOUNDS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2013-10-31 — — US disclosed
US-8450308-B2 Inhibitors of beta-secretase VITAE PHARMACEUTICALS, INC. (US) 2013-05-28 — — US disclosed
US-20110218192-A1 Inhibitors Of Beta-Secretase VITAE PHARMACEUTICALS, INC. (US) 2011-09-08 — — 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-20110218192-A1 Inhibitors Of Beta-Secretase BACE1, BACE2, APP ENPP2 642/4885TTR 1344/4885ALB 4757/4885

“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.

Send feedback