SCHEMBL852236

SCHEMBL852236

N#Cc1ccc(COc2cc(OCc3ccc(C#N)cc3)cc(C(=O)O)c2)cc1

nearest known ligand 0.69

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.69
KMT2A Q03164 1/20 0.69
RAB9A P51151 2/20 0.61
SMPD1 P17405 1/20 0.59
MAOB P27338 2/20 0.58
ALKBH1 Q13686 1/20 0.58
KDM5A P29375 1/20 0.53
KDM2B Q8NHM5 1/20 0.53
KDM4C Q9H3R0 1/20 0.53
KDM5B Q9UGL1 1/20 0.53
NR4A2 P43354 6/20 0.53
NR4A1 P22736 1/20 0.53
NR4A3 Q92570 1/20 0.53
RXRA P19793 3/20 0.53
RXRB P28702 3/20 0.53
NPC1 O15118 1/20 0.53
POLB P06746 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
MRGPRX4 Q96LA9 2/20 0.52

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
SCHEMBL29010786 0.97 MEN1 (0.64) MEN1KMT2ARAB9ASMPD1MAOB
SCHEMBL851678 0.93 MEN1 (0.60) MEN1KMT2ARAB9ASMPD1MAOB
SCHEMBL25214512 0.87 SMPD1 (0.74) MEN1KMT2ARAB9ASMPD1MAOB
SCHEMBL30392119 0.87 SMPD1 (0.74) MEN1KMT2ARAB9ASMPD1MAOB
SCHEMBL31141980 0.85 MEN1 (0.79) MEN1KMT2ARAB9ANR4A2NR4A1
SCHEMBL851377 0.84 MEN1 (0.68) MEN1KMT2ARAB9AMAOBALKBH1
SCHEMBL20772425 0.83 RXRA (0.63) MEN1KMT2ARAB9ASMPD1MAOB
SCHEMBL4265195 0.82 KDM5A (0.49) MEN1KMT2ARAB9ASMPD1MAOB
SCHEMBL851730 0.82 FFAR1 (0.60) MEN1KMT2AMAOBALKBH1NR4A2
SCHEMBL1426961 0.82 MEN1 (1.00) MEN1KMT2ASMPD1MAOBNR4A2

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 3122/4885RAB9A 1915/4885
US-20120136002-A1 PROTEASE INHIBITORS SERPINB1, TMPRSS15, PRSS1 MEN1 258/4885KMT2A 3122/4885RAB9A 1915/4885

“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.