SCHEMBL1877455

SCHEMBL1877455

CCCCCC(C)(C)NC(=O)c1ccc(C#N)cc1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.48
MGLL Q99685 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
CTSG P08311 7/20 0.42
CMA1 P23946 6/20 0.42
EGLN1 Q9GZT9 1/20 0.42
MLYCD O95822 1/20 0.41
HDAC3 O15379 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
PRSS1 P07477 1/20 0.40
CTRB1 P17538 1/20 0.40

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
SCHEMBL688943 0.81 MAPT (0.47) EPHX2MEN1KMT2AMLYCDHDAC3
SCHEMBL21335533 0.80 MAPT (0.49) EPHX2MEN1KMT2AMLYCDHDAC3
SCHEMBL1877453 0.80 POLB (0.64) EPHX2MEN1KMT2ACTSGCMA1
SCHEMBL1879427 0.79 HDAC3 (0.56) EPHX2MEN1KMT2AHDAC3HDAC1
SCHEMBL7826783 0.77 CTSG (0.47) EPHX2MEN1KMT2ACTSGCMA1
SCHEMBL507273 0.77 EPHX2 (0.55) EPHX2MEN1KMT2ACTSGCMA1
SCHEMBL5008089 0.77 MEN1 (0.49) EPHX2MEN1KMT2ACTSGCMA1
SCHEMBL689307 0.77 HDAC3 (0.58) MGLLMEN1KMT2AHDAC3HDAC1
SCHEMBL7835600 0.76 CTSG (0.46) EPHX2MGLLMEN1KMT2ACTSG
SCHEMBL22265515 0.75 L3MBTL1 (0.68) EPHX2MGLLMEN1KMT2AMLYCD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7939688-B2 Reacting N-alkylcarboxamides or ammonium salts of carboxylic acids in the presence of alkylamines or ammonium salts of in presence of 2,4,6-substituted 1,3,5,2,4,6-trioxatriphosphinane 2,4,6-trioxide and/or a base ARCHIMICA GMBH (DE) 2011-05-10 US disclosed
US-20080242884-A1 Process for Preparing Nitriles by Elimination Reactions EUTICALS GMBH (DE) 2008-10-02 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-20080242884-A1 Process for Preparing Nitriles by Elimination Reactions CBR1, CBR3, PHOSPHO1 EPHX2 607/4885MGLL 3551/4885MEN1 2875/4885

“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.