SCHEMBL851627

SCHEMBL851627

CCOC(=O)N1CCN(C(=O)c2cc(Oc3ccc(C(=N)NO)cc3)cc(Oc3ccc(C(=N)NO)cc3)c2)CC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.59
KMT2A Q03164 3/20 0.56
MEN1 O00255 2/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
GAA P10253 2/20 0.56
PRSS1 P07477 3/20 0.56
PRSS2 P07478 3/20 0.56
PRSS3 P35030 3/20 0.56
ST14 Q9Y5Y6 2/20 0.56
PLG P00747 1/20 0.56
CYP2C19 P33261 2/20 0.50
NPSR1 Q6W5P4 2/20 0.50
POLB P06746 1/20 0.50
KDM4E B2RXH2 2/20 0.49
HPGD P15428 1/20 0.49
F2 P00734 1/20 0.47
LMNA P02545 1/20 0.47
RAB9A P51151 1/20 0.46
HSD17B10 Q99714 1/20 0.46
TSHR P16473 1/20 0.46

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
SCHEMBL851129 0.86 PRSS1 (0.69) ALDH1A1KMT2AMEN1SMN1; SMN2GAA
SCHEMBL852091 0.83 ST14 (0.80) ALDH1A1KMT2AMEN1SMN1; SMN2PRSS1
SCHEMBL851919 0.82 ALDH1A1 (0.56) ALDH1A1KMT2AMEN1SMN1; SMN2GAA
SCHEMBL851140 0.82 PRSS1 (0.55) ALDH1A1KMT2AMEN1SMN1; SMN2GAA
SCHEMBL852072 0.81 ALDH1A1 (0.55) ALDH1A1KMT2AMEN1SMN1; SMN2GAA
SCHEMBL851767 0.81 ST14 (0.62) ALDH1A1KMT2AMEN1SMN1; SMN2GAA
SCHEMBL850539 0.81 ALDH1A1 (0.63) ALDH1A1KMT2AMEN1SMN1; SMN2GAA
SCHEMBL851359 0.79 PRSS1 (0.76) ALDH1A1SMN1; SMN2GAAPRSS1PRSS2
SCHEMBL851063 0.78 ALDH1A1 (0.49) ALDH1A1KMT2AMEN1SMN1; SMN2GAA
SCHEMBL851553 0.78 ST14 (0.56) ALDH1A1KMT2AMEN1SMN1; SMN2GAA

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 ALDH1A1 1252/4885KMT2A 3122/4885MEN1 258/4885
US-20120136002-A1 PROTEASE INHIBITORS SERPINB1, TMPRSS15, PRSS1 ALDH1A1 1252/4885KMT2A 3122/4885MEN1 258/4885

“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.