SCHEMBL16339701

SCHEMBL16339701

Cn1ccc(C=CC#N)c1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.44
ENPP2 Q13822 1/20 0.36
FDPS P14324 1/20 0.36
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC10 Q969S8 1/20 0.36
HDAC11 Q96DB2 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
HDAC9 Q9UKV0 1/20 0.36
HDAC5 Q9UQL6 1/20 0.36

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
SCHEMBL16339700 1.00 KDM4E (0.44) KDM4EENPP2FDPSHDAC3HDAC4
SCHEMBL13955322 0.69 MAOB (0.31)
SCHEMBL24664061 0.69 ALDH1A1 (0.45) KDM4E
SCHEMBL10846493 0.68 KDM4E (0.64) KDM4EENPP2FDPS
SCHEMBL3144474 0.68 KDM4E (0.64) KDM4EENPP2FDPS
SCHEMBL3085654 0.67
SCHEMBL15765081 0.67 CA12 (0.54) KDM4EFDPSHDAC3HDAC1HDAC2
SCHEMBL17961426 0.67 CA12 (0.54) KDM4EFDPSHDAC3HDAC1HDAC2
SCHEMBL15759007 0.67 HCAR2 (0.50) KDM4EHDAC3HDAC4HDAC1HDAC7
SCHEMBL18532823 0.66 KDM4E (0.61) KDM4EENPP2FDPS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160151335-A1 METHODS OF MODULATING CFTR ACTIVITY PROTEOSTASIS THERAPEUTICS, INC. (US) 2016-06-02 US disclosed
EP-3013341-A1 METHODS OF MODULATING CFTR ACTIVITY Proteostasis Therapeutics, Inc. (US) 2016-05-04 EP disclosed
WO-2014210159-A1 METHODS OF MODULATING CFTR ACTIVITY PROTEOSTASIS THERAPEUTICS, INC. (US) 2014-12-31 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-20160151335-A1 METHODS OF MODULATING CFTR ACTIVITY CFTR, HSP90B1, SERPINB1 KDM4E 4695/4885ENPP2 587/4885FDPS 594/4885

“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.