SCHEMBL851688

SCHEMBL851688

CCOC(=O)N1CCN(C(=O)c2cc(O)cc(Oc3ccc(CN)cc3)c2)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.55
KMT2A Q03164 3/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
MEN1 O00255 2/20 0.53
GAA P10253 2/20 0.52
LMNA P02545 2/20 0.49
CYP2C19 P33261 2/20 0.46
POLB P06746 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
PARP10 Q53GL7 1/20 0.46
PLG P00747 1/20 0.46
PRSS1 P07477 1/20 0.46
PRSS2 P07478 1/20 0.46
PRSS3 P35030 1/20 0.46
ST14 Q9Y5Y6 1/20 0.46
TSHR P16473 1/20 0.45
MAPK1 P28482 1/20 0.43
STAT3 P40763 1/20 0.43
RAB9A P51151 2/20 0.43
KDM4E B2RXH2 2/20 0.43

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
SCHEMBL852072 0.86 ALDH1A1 (0.55) ALDH1A1KMT2ASMN1; SMN2MEN1GAA
SCHEMBL851767 0.86 ST14 (0.62) ALDH1A1KMT2ASMN1; SMN2MEN1GAA
SCHEMBL851372 0.85 ALDH1A1 (0.55) ALDH1A1KMT2ASMN1; SMN2MEN1GAA
SCHEMBL851452 0.83 ST14 (0.57) ALDH1A1KMT2ASMN1; SMN2MEN1GAA
SCHEMBL861362 0.83 ALDH1A1 (0.49) ALDH1A1KMT2ASMN1; SMN2MEN1GAA
SCHEMBL851618 0.82 ALDH1A1 (0.47) ALDH1A1KMT2ASMN1; SMN2MEN1GAA
SCHEMBL851617 0.81 ALDH1A1 (0.48) ALDH1A1KMT2ASMN1; SMN2MEN1GAA
SCHEMBL851129 0.79 PRSS1 (0.69) ALDH1A1KMT2ASMN1; SMN2MEN1GAA
SCHEMBL15872877 0.78 ALDH1A1 (0.43) ALDH1A1KMT2ASMN1; SMN2MEN1GAA
SCHEMBL850539 0.77 ALDH1A1 (0.63) ALDH1A1KMT2ASMN1; SMN2MEN1GAA

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 3122/4885SMN1; SMN2 2076/4885
US-20120136002-A1 PROTEASE INHIBITORS SERPINB1, TMPRSS15, PRSS1 ALDH1A1 1252/4885KMT2A 3122/4885SMN1; SMN2 2076/4885

“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.