Acetonitrile

Acetonitrile

SCHEMBL1730351

CC#N.CCN(C(C)C)C(C)C.CO

nearest known ligand 0.31

Full drug profile on Sugi Atlas →

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.31
KMT2A Q03164 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
Acetonitrile SCHEMBL8910586 0.95 MEN1 (0.33) MEN1KMT2A
Acetonitrile SCHEMBL3477901 0.95 MEN1 (0.33) MEN1KMT2A
Methyl Alcohol SCHEMBL2652388 0.86 MEN1 (0.38) MEN1KMT2A
Water SCHEMBL1251556 0.83 MEN1 (0.40) MEN1KMT2A
Alcohol SCHEMBL5066648 0.80 TSHR (0.38) MEN1KMT2A
SCHEMBL5544690 0.80 MEN1 (0.42) MEN1KMT2A
SCHEMBL7097725 0.80
SCHEMBL1746 0.80
SCHEMBL28199597 0.79 ALDH1A1 (0.33) MEN1KMT2A
Methylene Chloride SCHEMBL951080 0.78 MEN1 (0.46) MEN1KMT2A

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2385039-B1 2-Iminoisoindolinone derivatives as thrombin receptor antagonists EISAI R&D MAN CO LTD (JP) 2014-03-12 EP disclosed
EP-1391451-B1 2-IMINOPYRROLIDINE DERIVATES EISAI R&D MAN CO LTD (JP) 2011-11-23 EP disclosed
EP-2385039-A1 2-Iminoisoindolinone derivatives as thrombin receptor antagonists Eisai R&D Management Co., Ltd. (JP) 2011-11-09 EP disclosed
US-20090215795-A1 CYCLIC AMIDINE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-08-27 US disclosed
EP-1391456-B1 2-IMINOIMIDAZOLE DERIVATIVES EISAI R&D MAN CO LTD (JP) 2009-07-22 EP disclosed
EP-1386912-B1 CYCLIC AMIDINE DERIVATIVE EISAI R&D MAN CO LTD (JP) 2009-03-18 EP disclosed
US-7476688-B2 Cyclic amidine derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-01-13 US disclosed
CN-100402499-C 2-iminopyrrolidine derivatives EISAI CO LTD (JP) 2008-07-16 CN disclosed
US-7304083-B2 2-iminoimidazole derivatives (2) EISAI R&D MANAGEMENT CO., LTD. (JP) 2007-12-04 US disclosed
US-7244730-B2 2-iminopyrrolidine derivatives EISAI CO., LTD (JP) 2007-07-17 US disclosed
EP-1614680-A2 Process for preparing 2-iminopyrrolidine derivatives Eisai Co., Ltd. (JP) 2006-01-11 EP disclosed
US-20050245592-A1 2-Iminopyrrolidine derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2005-11-03 US disclosed
US-20050004197-A1 2-iminoimidazole derivatives (2) EISAI R&D MANAGEMENT CO., LTD. (JP) 2005-01-06 US disclosed
US-20050004204-A1 2-Iminopyrrolidine derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2005-01-06 US disclosed
US-20040254376-A1 Cyclic amidine derivative EISAI R&D MANAGEMENT CO., LTD. (JP) 2004-12-16 US disclosed
US-20040242627-A1 2-Iminoimidazole derivatives (1) EISAI R&D MANAGEMENT CO., LTD. (JP) 2004-12-02 US disclosed
CN-1503784-A 2-iminopyrrolidine derivatives ������������ʽ���� 2004-06-09 CN disclosed
EP-1394152-A1 2-IMINOIMIDAZOLE DERIVATIVES (1) Eisai Co., Ltd. (JP) 2004-03-03 EP disclosed
EP-1391451-A1 2-IMINOPYRROLIDINE DERIVATES Eisai Co., Ltd. (JP) 2004-02-25 EP disclosed
EP-1386912-A1 CYCLIC AMIDINE DERIVATIVE Eisai Co., Ltd. (JP) 2004-02-04 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 (6 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-20050004197-A1 2-iminoimidazole derivatives (2) H1-2, H1-3, H1-4 MEN1 581/4885KMT2A 1299/4885
US-20050245592-A1 2-Iminopyrrolidine derivatives H1-2, H1-3, H1-0 MEN1 891/4885KMT2A 2082/4885
US-20050004204-A1 2-Iminopyrrolidine derivatives H1-2, H1-3, H1-0 MEN1 859/4885KMT2A 2110/4885
US-20040242627-A1 2-Iminoimidazole derivatives (1) H1-2, H1-0, H1-3 MEN1 1601/4885KMT2A 340/4885
US-20040254376-A1 Cyclic amidine derivative ARGLU1, ARG1, PRMT1 MEN1 302/4885KMT2A 1267/4885
US-20090215795-A1 CYCLIC AMIDINE DERIVATIVES H1-10, H1-3, H1-4 MEN1 169/4885KMT2A 2585/4885

“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.