Propionitrile

Propionitrile

SCHEMBL5577903

CCC#N.O=C(O)c1cc(SSc2ccc([N+](=O)[O-])c(C(=O)O)c2)ccc1[N+](=O)[O-].O=C(O)c1cc(Sc2ccc([N+](=O)[O-])c(C(=O)O)c2)ccc1[N+](=O)[O-].O=C(O)c1cc(Sc2ccc([N+](=O)[O-])c(C(=O)O)c2)ccc1[N+](=O)[O-]

nearest known ligand 0.70

Full drug profile on Sugi Atlas →

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DTYMK P23919 1/20 0.70
POLB P06746 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
HTT P42858 2/20 0.38
TP53 P04637 1/20 0.38
TSHR P16473 3/20 0.37
PDE7A Q13946 1/20 0.36
CASP6 P55212 1/20 0.36
BCL2L1 Q07817 1/20 0.35
HCAR3 P49019 5/20 0.35
KDM4E B2RXH2 1/20 0.35
APEX1 P27695 1/20 0.35
CDC25B P30305 1/20 0.35
MAPT P10636 2/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.34

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 SCHEMBL5577929 0.96 DTYMK (0.76) DTYMKPOLBMEN1KMT2AHTT
SCHEMBL26775 0.84 DTYMK (1.00) DTYMKPOLBMEN1KMT2AHTT
SCHEMBL504562 0.84 DTYMK (0.81) DTYMKPOLBMEN1KMT2AHTT
SCHEMBL143541 0.84 DTYMK (1.00) DTYMKPOLBMEN1KMT2AHTT
SCHEMBL29353295 0.84 DTYMK (1.00) DTYMKPOLBMEN1KMT2AHTT
SCHEMBL29388000 0.82 DTYMK (0.97) DTYMKPOLBMEN1KMT2AHTT
SCHEMBL8577281 0.82 DTYMK (0.97) DTYMKPOLBMEN1KMT2AHTT
SCHEMBL19885315 0.80 DTYMK (0.85) DTYMKPOLBMEN1KMT2ATSHR
SCHEMBL16489112 0.79 DTYMK (0.82) DTYMKPOLBMEN1KMT2AHTT
SCHEMBL13715527 0.78 DTYMK (0.82) DTYMKPOLBMEN1KMT2ATSHR

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 4 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
US-6936729-B2 Compound containing a labile disulfide bond MIRUS BIO CORPORATION (US) 2005-08-30 US disclosed
US-20050020518-A9 Compound containing a labile disulfide bond ROCHE MADISON INC. 2005-01-27 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-20070191281-A1 Compound containing a labile disulfide bond P4HB, HSF1, ATF4 DTYMK 1423/4885POLB 4511/4885MEN1 4467/4885
US-20050020518-A9 Compound containing a labile disulfide bond P4HB, HSF1, ATF4 DTYMK 1423/4885POLB 4511/4885MEN1 4467/4885

“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.