Isobutyramide

Isobutyramide

SCHEMBL6226705

CC(C)C(N)=O.CN1CCN(C)C1=O

nearest known ligand 0.39

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA3 P07451 1/20 0.39
CA4 P22748 1/20 0.39
CA6 P23280 1/20 0.39
CA5A P35218 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
CA13 Q8N1Q1 1/20 0.39
CA14 Q9ULX7 1/20 0.39
CA5B Q9Y2D0 1/20 0.39
ACE P12821 1/20 0.36
PIK3CD O00329 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
DPP4 P27487 3/20 0.33
GRIN2B Q13224 1/20 0.31
GRIN2C Q14957 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
Urea SCHEMBL7021643 0.85 BRD4 (0.35) LMNACA12CA1CA2CA3
SCHEMBL30728811 0.81 LMNA (0.33) LMNACA12CA1CA2CA3
Acetone SCHEMBL19638241 0.78 MAPK1 (0.39) LMNAPIK3CDKMT2AMAPTBRD4
Hydrogen Peroxide SCHEMBL28763582 0.77 BRD4 (0.39) ACEPIK3CDMEN1KMT2APER2
SCHEMBL3043 0.77
SCHEMBL2398125 0.77 BRD4 (0.43) PIK3CDKMT2ABRD4BRD2
Urea SCHEMBL9240868 0.76 MAPK1 (0.31)
Methylpyrrolidone SCHEMBL1461340 0.75 BRD4 (0.65) LMNACA12CA1CA2CA3
SCHEMBL28737317 0.74 BRD4 (0.38) LMNAACEPIK3CDMAPTBRD4
Water SCHEMBL3778195 0.74

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-20160272604-A1 3-FURYL-2-CYANO-2-ACRYLAMIDE DERIVATIVE, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION AND USE THEREOF JENKEM TECHNOLOGY CO., LTD. (BEIJING) (CN) 2016-09-22 US claimed
EP-1524263-A1 prodrugs containing cycloalkene derivatives Takeda Pharmaceutical Company Limited (JP) 2005-04-20 EP 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-20160272604-A1 3-FURYL-2-CYANO-2-ACRYLAMIDE DERIVATIVE, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION AND USE THEREOF EGFR, ERBB2, ERBB3 LMNA 3749/4885CA12 2924/4885CA1 1663/4885

“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.