SCHEMBL5524988

SCHEMBL5524988

CCOC(=O)C(C#N)C(C)C(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
ALDH1A1 P00352 5/20 0.36
TSHR P16473 1/20 0.36
GAA P10253 3/20 0.36
HTT P42858 2/20 0.34
LMNA P02545 2/20 0.34
MMP8 P22894 1/20 0.34
MAPK1 P28482 1/20 0.34
DPP4 P27487 2/20 0.33
HSD17B10 Q99714 1/20 0.32
HPGD P15428 1/20 0.32
CYP2C9 P11712 1/20 0.32
ALOX15 P16050 1/20 0.31
POLB P06746 1/20 0.31
MGAM O43451 1/20 0.31
SI P14410 1/20 0.31
MGAM2 Q2M2H8 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
SCHEMBL411806 0.84 SMN1; SMN2 (0.42) SMN1; SMN2L3MBTL1KMT2AMEN1ALDH1A1
SCHEMBL10535054 0.82 SMN1; SMN2 (0.45) SMN1; SMN2L3MBTL1KMT2AMEN1ALDH1A1
SCHEMBL8853779 0.81 SMN1; SMN2 (0.39) SMN1; SMN2L3MBTL1KMT2AMEN1ALDH1A1
SCHEMBL7706526 0.81 SMN1; SMN2 (0.40) SMN1; SMN2L3MBTL1KMT2AMEN1ALDH1A1
SCHEMBL28515317 0.79 SMN1; SMN2 (0.40) SMN1; SMN2L3MBTL1KMT2AMEN1ALDH1A1
SCHEMBL13858310 0.79 SMN1; SMN2 (0.41) SMN1; SMN2L3MBTL1KMT2AMEN1ALDH1A1
SCHEMBL6925032 0.79 SMN1; SMN2 (0.41) SMN1; SMN2L3MBTL1KMT2AMEN1ALDH1A1
SCHEMBL6925027 0.79 SMN1; SMN2 (0.41) SMN1; SMN2L3MBTL1KMT2AMEN1ALDH1A1
SCHEMBL6925024 0.79 SMN1; SMN2 (0.41) SMN1; SMN2L3MBTL1KMT2AMEN1ALDH1A1
SCHEMBL23130401 0.77 SMN1; SMN2 (0.40) SMN1; SMN2L3MBTL1KMT2AMEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7205331-B2 Fungicidal carboxamides BASARAB GREGORY STEVEN 2007-04-17 US disclosed
US-7135585-B2 Fungicidal carboxamides BASARAB GREGORY STEVEN 2006-11-14 US disclosed
US-20060178425-A1 FUNGICIDAL CARBOXAMIDES BASARAB GREGORY S 2006-08-10 US disclosed
US-6642392-B1 Pyrrole derivatives BOARD OF TRUSTEES OF THE UNIVERSITY OF ARKANSAS 2003-11-04 US disclosed
US-6251947-B1 CERTAIN N-(ARYLPROPYL), N-(ARYLOXYETHYL), AND N-(ARYLALLYL)-CARBOXAMIDES, THEIR AGRICULTURALLY SUITABLE SALTS USED AS FUNGICIDE TO CONTROL PLANT DISEASE BY APPLYING AN EFFECTIVE AMOUNT ON THE PLANT BOARD OF TRUSTEES OF THE UNIVERSITY OF ARKANSAS 2001-06-26 US disclosed
WO-1998033765-A1 FUNGICIDAL CARBOXAMIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1998-08-06 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-20060178425-A1 FUNGICIDAL CARBOXAMIDES CBR3, CBR1, CYC1 SMN1; SMN2 2757/4885L3MBTL1 539/4885KMT2A 2929/4885

“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.