Isobutyramide

Isobutyramide

SCHEMBL3983217

C1CCOCC1.C1CCOCC1.CC(C)C(N)=O

nearest known ligand 0.40

Full drug profile on Sugi Atlas →

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.36
PKM P14618 1/20 0.36
EPHX1 P07099 2/20 0.34
KDM4E B2RXH2 2/20 0.32

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
Isobutyramide SCHEMBL8503110 0.97 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2PKMEPHX1KDM4E
Isobutyramide SCHEMBL189761 0.97 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2PKMEPHX1KDM4E
SCHEMBL8882808 0.88 ALDH1A1 (0.38) ALDH1A1SMN1; SMN2PKMEPHX1KDM4E
Dioxane SCHEMBL3231271 0.87 SMN1; SMN2 (0.40) ALDH1A1SMN1; SMN2PKMEPHX1KDM4E
Cyclohexane SCHEMBL27620246 0.84 EPHX1 (0.43) ALDH1A1EPHX1
Isobutyramide SCHEMBL28184607 0.82 EPHX1 (0.32) EPHX1
Tetrahydrofuran SCHEMBL27268317 0.79 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2PKM
Tetrahydrofuran SCHEMBL27775685 0.79 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2PKM
Tetrahydrofuran SCHEMBL913001 0.79 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2PKM
Carbamic Acid SCHEMBL2726104 0.78 ALDH1A1 (0.50) ALDH1A1KDM4E

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-20090131720-A1 PROCESS FOR THE SYNTHESIS OF HYDROXYL ARYLAMINES XEROX CORPORATION (US) 2009-05-21 US disclosed
US-7482492-B2 Cost effective method for synthesis of triarylamine compounds XEROX CORPORATION (US) 2009-01-27 US disclosed
US-20080255389-A1 COST EFFECTIVE METHOD FOR SYNTHESIS OF TRIARYLAMINE COMPOUNDS XEROX CORPORATION (US) 2008-10-16 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-20080255389-A1 COST EFFECTIVE METHOD FOR SYNTHESIS OF TRIARYLAMINE COMPOUNDS ADH1A, ADH1C, AADAC ALDH1A1 90/4885SMN1; SMN2 3368/4885PKM 1258/4885
US-20090131720-A1 PROCESS FOR THE SYNTHESIS OF HYDROXYL ARYLAMINES NAT1, AHR, AADAC ALDH1A1 12/4885SMN1; SMN2 4255/4885PKM 490/4885

“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.