SCHEMBL1019778

SCHEMBL1019778

CC(C)(C)OC(=O)n1cc(-c2cccc([N+](=O)[O-])c2)cn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.45
PLAU P00749 1/20 0.45
KLKB1 P03952 1/20 0.45
ELANE P08246 1/20 0.45
ROCK2 O75116 1/20 0.44
ALDH1A1 P00352 3/20 0.44
PKM P14618 2/20 0.44
SCD O00767 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
MAPT P10636 5/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
ALOX5 P09917 1/20 0.42
LMNA P02545 2/20 0.40
KEAP1 Q14145 2/20 0.40
NFE2L2 Q16236 2/20 0.40
PDE4B Q07343 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL15742834 0.85 ROCK2 (0.53) F2PLAUELANEROCK2ALDH1A1
SCHEMBL30042393 0.82 ROCK2 (0.48) ELANEROCK2SCDMEN1KMT2A
SCHEMBL23649111 0.82 ROCK2 (0.48) ELANEROCK2SCDMEN1KMT2A
SCHEMBL28709784 0.81 TDP1 (0.53) F2PLAUKLKB1ELANEALDH1A1
SCHEMBL16895234 0.81 ROCK2 (0.40) F2PLAUELANEROCK2ALDH1A1
SCHEMBL3093032 0.81 ROCK2 (0.50) ELANEROCK2ALDH1A1SCDNPC1
SCHEMBL23804708 0.81 SCD (0.49) ROCK2SCDMAPTNPC1RAB9A
SCHEMBL15742888 0.80 KMT2A (0.45) ROCK2ALDH1A1PKMMAPTSMN1; SMN2
SCHEMBL673557 0.80 F2 (0.51) F2PLAUKLKB1ELANEROCK2
SCHEMBL25445548 0.80 ROCK2 (0.56) ROCK2SCD

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-8415479-B2 Inhibitor of plasminogen activator inhibitor-1 RENASCIENCE CO., LTD. (JP) 2013-04-09 US disclosed
US-20110112140-A1 INHIBITOR OF PLASMINOGEN ACTIVATOR INHIBITOR-1 RENASCIENCE CO., LTD. (JP) 2011-05-12 US disclosed
EP-2272822-A1 INHIBITOR OF PLASMINOGEN ACTIVATOR INHIBITOR-1 Renascience CO., LTD. (JP) 2011-01-12 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 (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-20110112140-A1 INHIBITOR OF PLASMINOGEN ACTIVATOR INHIBITOR-1 SERPINE1, SERPINB1, SERPINC1 F2 23/4885PLAU 10/4885KLKB1 89/4885

“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.