SCHEMBL851029

SCHEMBL851029

N#Cc1ccc(Oc2cc(Oc3ccc(C(N)C(=O)OCc4ccccc4)cc3)cc(C(=O)O)c2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
MAOB P27338 1/20 0.44
PARP15 Q460N3 1/20 0.42
PARP10 Q53GL7 1/20 0.42
PARP2 Q9UGN5 1/20 0.42
EGLN2 Q96KS0 2/20 0.41
EGLN1 Q9GZT9 2/20 0.41
FNTA P49354 1/20 0.41
FNTB P49356 1/20 0.41
NR4A2 P43354 2/20 0.40
NR4A1 P22736 1/20 0.40
NR4A3 Q92570 1/20 0.40
LTA4H P09960 1/20 0.40
LAP3 P28838 1/20 0.40
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
KDM4E B2RXH2 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 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
SCHEMBL851472 0.82 LTA4H (0.42) EGLN2EGLN1FNTAFNTBLTA4H
SCHEMBL851694 0.81 RAB9A (0.44) MEN1KMT2AMAOBNR4A2NR4A1
SCHEMBL852056 0.81 PARP15 (0.44) MEN1KMT2APARP15PARP10PARP2
SCHEMBL851030 0.79 PLAU (0.47) MEN1KMT2AMAOBEGLN2EGLN1
SCHEMBL5456496 0.77 NR4A1 (0.53) MEN1KMT2ANR4A2NR4A1NR4A3
SCHEMBL851560 0.77 MRGPRX4 (0.43) MEN1KMT2AMAOBNR4A2LTA4H
SCHEMBL851979 0.77 PARP15 (0.62) MEN1KMT2APARP15PARP10PARP2
SCHEMBL851678 0.77 MEN1 (0.60) MEN1KMT2AMAOBPARP15PARP10
SCHEMBL10861854 0.76 LTA4H (0.63) MAOBPARP10NR4A2NR4A1NR4A3
SCHEMBL7566253 0.76 FFAR1 (0.46) KMT2AMAOBLTA4HLAP3MRGPRX4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140200225-A1 PROTEASE INHIBITORS ORION CORPORATION (FI) 2014-07-17 US disclosed
US-8722930-B2 Protease inhibitors ORION CORPORATION (FI) 2014-05-13 US disclosed
US-20120136002-A1 PROTEASE INHIBITORS AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2012-05-31 US disclosed
EP-2432556-A1 PROTEASE INHIBITORS Orion Corporation (FI) 2012-03-28 EP disclosed
WO-2010133748-A1 PROTEASE INHIBITORS ORION CORPORATION (FI) 2010-11-25 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 (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-20140200225-A1 PROTEASE INHIBITORS SERPINB1, TMPRSS15, PRSS1 MEN1 258/4885KMT2A 3122/4885MAOB 187/4885
US-20120136002-A1 PROTEASE INHIBITORS SERPINB1, TMPRSS15, PRSS1 MEN1 258/4885KMT2A 3122/4885MAOB 187/4885

“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.