Propionitrile

Propionitrile

SCHEMBL5577929

CCC#N.O=C(O)c1cc(SSc2ccc([N+](=O)[O-])c(C(=O)O)c2)ccc1[N+](=O)[O-]

nearest known ligand 0.76

Full drug profile on Sugi Atlas →

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DTYMK P23919 1/20 0.76
MEN1 O00255 1/20 0.40
POLB P06746 1/20 0.40
KMT2A Q03164 1/20 0.40
TSHR P16473 3/20 0.39
CASP6 P55212 1/20 0.39
HCAR3 P49019 7/20 0.37
TP53 P04637 1/20 0.37
HTT P42858 1/20 0.37
CDC25B P30305 1/20 0.37
MAPT P10636 1/20 0.37

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
Propionitrile SCHEMBL5577903 0.96 DTYMK (0.70) DTYMKMEN1POLBKMT2ATSHR
SCHEMBL29353295 0.87 DTYMK (1.00) DTYMKMEN1POLBKMT2ATSHR
SCHEMBL143541 0.87 DTYMK (1.00) DTYMKMEN1POLBKMT2ATSHR
SCHEMBL26775 0.87 DTYMK (1.00) DTYMKMEN1POLBKMT2ATSHR
SCHEMBL29388000 0.85 DTYMK (0.97) DTYMKMEN1POLBKMT2ATSHR
SCHEMBL8577281 0.85 DTYMK (0.97) DTYMKMEN1POLBKMT2ATSHR
SCHEMBL19885315 0.83 DTYMK (0.85) DTYMKMEN1POLBKMT2ATSHR
SCHEMBL16489112 0.82 DTYMK (0.82) DTYMKMEN1POLBKMT2ATSHR
SCHEMBL13715527 0.81 DTYMK (0.82) DTYMKMEN1POLBKMT2ATSHR
SCHEMBL381244 0.80 DTYMK (0.69) DTYMKMEN1POLBKMT2ATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070191281-A1 Compound containing a labile disulfide bond ROCHE MADISON INC. 2007-08-16 US disclosed
US-7087770-B2 Compound containing a labile disulfide bond MIRUS BIO CORPORATION (US) 2006-08-08 US disclosed
EP-1667728-A1 INTRAVASCULAR DELIVERY OF NON-VIRAL NUCLEIC ACID Mirus Bio Corporation (US) 2006-06-14 EP disclosed
US-6936729-B2 Compound containing a labile disulfide bond MIRUS BIO CORPORATION (US) 2005-08-30 US disclosed
US-6897068-B2 Polynucleotide complex delivery MIRUS BIO CORPORATION (US) 2005-05-24 US disclosed
WO-2005009476-A1 INTRAVASCULAR DELIVERY OF NON-VIRAL NUCLEIC ACID MIRUS CORPORATION (US) 2005-02-03 WO disclosed
US-20050020518-A9 Compound containing a labile disulfide bond ROCHE MADISON INC. 2005-01-27 US disclosed
US-20040106567-A1 Intravascular delivery of non-viral nucleic acid HAGSTROM JAMES E (US) 2004-06-03 US disclosed
US-20040072785-A1 Intravascular delivery of non-viral nucleic acid WOLFF JON A (US) 2004-04-15 US disclosed
US-20030216347-A1 Intravascular delivery of non-viral nucleic acid MONAHAN SEAN D (US) 2003-11-20 US disclosed
US-20030166280-A1 Polynucleotide complex delivery Arrowhead Madison Inc. 2003-09-04 US disclosed
US-20010044417-A1 Compound containing a labile disulfide bond WOLFF JON A (US) 2001-11-22 US disclosed
US-20010036926-A1 Compound containing a labile disulfide bond ROCHE MADISON INC. 2001-11-01 US disclosed
US-20010004636-A1 INTRAVASCULAR DELIVERY OF NON-VIRAL NUCLEIC ACID Arrowhead Madison Inc. 2001-06-21 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 (7 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-20030166280-A1 Polynucleotide complex delivery POLI, POLN, POLRMT DTYMK 207/4885MEN1 3177/4885POLB 12/4885
US-20070191281-A1 Compound containing a labile disulfide bond P4HB, HSF1, ATF4 DTYMK 1423/4885MEN1 4467/4885POLB 4511/4885
US-20010036926-A1 Compound containing a labile disulfide bond GPX4, GPX1, GSTK1 DTYMK 475/4885MEN1 3930/4885POLB 3927/4885
US-20010004636-A1 INTRAVASCULAR DELIVERY OF NON-VIRAL NUCLEIC ACID HNRNPH1, HNRNPA1, HNRNPH3 DTYMK 509/4885MEN1 3095/4885POLB 213/4885
US-20050020518-A9 Compound containing a labile disulfide bond P4HB, HSF1, ATF4 DTYMK 1423/4885MEN1 4467/4885POLB 4511/4885
US-20010044417-A1 Compound containing a labile disulfide bond P4HB, HSF1, ATF4 DTYMK 1423/4885MEN1 4467/4885POLB 4511/4885
US-20030216347-A1 Intravascular delivery of non-viral nucleic acid HNRNPH1, HNRNPA1, HNRNPH3 DTYMK 509/4885MEN1 3095/4885POLB 213/4885

“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.