SCHEMBL13617146

SCHEMBL13617146

CCCN/C(=N/C#N)Oc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.40
ALOX12 P18054 2/20 0.40
KMT2A Q03164 2/20 0.40
ZDHHC2 Q9UIJ5 1/20 0.38
MGLL Q99685 2/20 0.37
ALDH1A1 P00352 1/20 0.36
POLB P06746 1/20 0.34
RECQL P46063 1/20 0.34
IDO1 P14902 1/20 0.34
GAA P10253 1/20 0.34
KDM4E B2RXH2 1/20 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
SCHEMBL3421932 0.90 ZDHHC2 (0.50) ZDHHC2MGLLALDH1A1
SCHEMBL14996220 0.90 ZDHHC2 (0.50) ZDHHC2MGLLALDH1A1
SCHEMBL13630803 0.89 ZDHHC2 (0.52) ZDHHC2MGLLALDH1A1
SCHEMBL13066415 0.88 KMT2A (0.41) MAPTKMT2AZDHHC2MGLLALDH1A1
SCHEMBL21597555 0.88 KMT2A (0.41) MAPTKMT2AZDHHC2MGLLALDH1A1
SCHEMBL21597554 0.88 KMT2A (0.41) MAPTKMT2AZDHHC2MGLLALDH1A1
SCHEMBL1151213 0.85 KMT2A (0.40) KMT2AZDHHC2POLBIDO1
SCHEMBL1151212 0.85 KMT2A (0.40) KMT2AZDHHC2POLBIDO1
SCHEMBL24654022 0.82 KMT2A (0.38) KMT2AZDHHC2MGLLPOLBRECQL
SCHEMBL29306423 0.82 SMN1; SMN2 (0.46) KMT2AALDH1A1GAAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8455497-B2 Inhibitors of aspartyl protease VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-06-04 US disclosed
US-8455497-B2 Inhibitors of aspartyl protease VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-06-04 US disclosed
US-20090274650-A1 INHIBITORS OF ASPARTYL PROTEASE VERTEX PHARMACEUTICALS INCORPORATED 2009-11-05 US disclosed
US-20090274650-A1 INHIBITORS OF ASPARTYL PROTEASE VERTEX PHARMACEUTICALS INCORPORATED 2009-11-05 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-20090274650-A1 INHIBITORS OF ASPARTYL PROTEASE SPINT2, DNPEP, PRSS1 MAPT 1868/4885ALOX12 4091/4885KMT2A 864/4885

“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.