Acetonitrile

Acetonitrile

SCHEMBL3928449

CC#N.COc1ccccc1CN

nearest known ligand 0.58

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.58
IDO1 P14902 2/20 0.53
ALDH1A1 P00352 1/20 0.50
GAA P10253 1/20 0.50
MAPT P10636 1/20 0.50
AOC3 Q16853 1/20 0.47
CHRM2 P08172 5/20 0.47
CHRM1 P11229 1/20 0.47
LMNA P02545 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
CA12 O43570 2/20 0.44
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
CA9 Q16790 2/20 0.44
CA14 Q9ULX7 2/20 0.44
CA4 P22748 1/20 0.44
CA7 P43166 1/20 0.44
TSHR P16473 1/20 0.44
SIGMAR1 Q99720 1/20 0.43
CA5A P35218 1/20 0.42

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
SCHEMBL39970 0.90 TAAR1 (0.69) TAAR1IDO1ALDH1A1GAAMAPT
SCHEMBL29633165 0.90 TAAR1 (0.69) TAAR1IDO1ALDH1A1GAAMAPT
Hydrochloric Acid SCHEMBL27527127 0.88 TAAR1 (0.67) TAAR1IDO1ALDH1A1GAAMAPT
Ammonia Solution, Strong SCHEMBL7689341 0.88 TAAR1 (0.67) TAAR1IDO1ALDH1A1GAAMAPT
Hydrochloric Acid SCHEMBL9272901 0.88 TAAR1 (0.67) TAAR1IDO1ALDH1A1GAAMAPT
Aniline SCHEMBL22169202 0.85 TAAR1 (0.58) TAAR1IDO1ALDH1A1GAAMAPT
Toluene SCHEMBL28863023 0.81 TAAR1 (0.58) TAAR1IDO1ALDH1A1GAAMAPT
SCHEMBL2782786 0.81 TAAR1 (0.58) TAAR1IDO1ALDH1A1GAAMAPT
Acetonitrile SCHEMBL7423983 0.79 ALDH1A1 (0.58) ALDH1A1GAAMAPTCHRM2CHRM1
SCHEMBL8356887 0.79 TAAR1 (0.56) TAAR1IDO1ALDH1A1GAAMAPT

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-20090291983-A1 3-Oxoisoindoline-1-Carboxamide Derivatives as Analgesic Agents ASTRAZENECA AB (SE) 2009-11-26 US disclosed
EP-2044019-A1 3-OXOISOINDOLINE-1-CARBOXAMIDE DERIVATIVES AS ANALGESIC AGENTS Astra Zeneca AB (SE) 2009-04-08 EP disclosed
WO-2008008020-A1 3-OXOISOINDOLINE-1-CARBOXAMIDE DERIVATIVES AS ANALGESIC AGENTS ASTRAZENECA AB (SE) 2008-01-17 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-20090291983-A1 3-Oxoisoindoline-1-Carboxamide Derivatives as Analgesic Agents OPRD1, OPRK1, OPRM1 TAAR1 498/4885IDO1 641/4885ALDH1A1 429/4885

“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.