SCHEMBL4139863

SCHEMBL4139863

CC(C)(C)OC(=O)Cn1cc(C#N)c(N)n1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.38
GLA P06280 1/20 0.38
KDM4E B2RXH2 5/20 0.36
MAPT P10636 4/20 0.36
RAB9A P51151 2/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
LMNA P02545 2/20 0.33
HPGD P15428 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HSD17B10 Q99714 1/20 0.33
XDH P47989 1/20 0.33
POLB P06746 1/20 0.33
AR P10275 2/20 0.32
ENPP2 Q13822 1/20 0.32
HDAC6 Q9UBN7 1/20 0.31

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
SCHEMBL31105945 0.80 KDM4E (0.36) ALDH1A1KDM4EKMT2AENPP2HDAC6
SCHEMBL25924621 0.79 KDM4E (0.36) ALDH1A1KDM4EKMT2APOLBENPP2
SCHEMBL20595463 0.76 CTSK (0.34) ALDH1A1GLAKDM4EHSD17B10
SCHEMBL28948622 0.76 AR (0.35) ALDH1A1GLAKDM4EMAPTRAB9A
SCHEMBL25925090 0.74 ALDH1A1 (0.36) ALDH1A1GLAKDM4EKMT2AENPP2
SCHEMBL19208077 0.74 ADORA3 (0.40) ALDH1A1KDM4EMAPTRAB9AKMT2A
SCHEMBL4134200 0.73 FNTA (0.48) ALDH1A1GLAKDM4EMAPTRAB9A
SCHEMBL24621132 0.72 AR (0.40) ALDH1A1GLAKDM4EAR
SCHEMBL28803316 0.72 ALDH1A1 (0.38) ALDH1A1GLAKDM4EMAPTRAB9A
SCHEMBL19208455 0.72 KDM4E (0.35) ALDH1A1KDM4EKMT2AENPP2HDAC6

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-20090131662-A1 Compositions And Methods Pertaining To PNA Synthons And Oligomers Comprising A Universal Base LIFE TECHNOLOGIES CORPORATION, A DELAWARE CORPORATION (US) 2009-05-21 US disclosed
US-7482353-B2 Compositions and methods pertaining to PNA synthons and oligomers comprising a universal base APPLIED BIOSYSTEMS INC. (US) 2009-01-27 US disclosed
US-20060287526-A1 Compositions and methods pertaining to PNA synthons and oligomers comprising a universal base APPLERA CORPORATION (US) 2006-12-21 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 (2 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-20090131662-A1 Compositions And Methods Pertaining To PNA Synthons And Oligomers Comprising A Universal Base DNMT3A, DNTT, POLI ALDH1A1 4607/4885GLA 1455/4885KDM4E 4709/4885
US-20060287526-A1 Compositions and methods pertaining to PNA synthons and oligomers comprising a universal base DNMT3A, DNTT, POLI ALDH1A1 4607/4885GLA 1455/4885KDM4E 4709/4885

“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.