SCHEMBL3786207

SCHEMBL3786207

N=C(NO)c1ccc(Oc2cc(N)cc(Oc3ccc(C(=N)NO)cc3)c2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ST14 Q9Y5Y6 12/20 0.67
F2 P00734 10/20 0.67
PRSS1 P07477 6/20 0.67
PRSS2 P07478 6/20 0.67
PRSS3 P35030 6/20 0.67
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
NLRP3 Q96P20 1/20 0.47
F10 P00742 2/20 0.46
FURIN P09958 1/20 0.46
PLAU P00749 1/20 0.46
PARP10 Q53GL7 1/20 0.41
ALDH1A1 P00352 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MITF O75030 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
GFER P55789 1/20 0.40

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
SCHEMBL3793330 0.82 ST14 (0.71) ST14F2PRSS1PRSS2PRSS3
SCHEMBL851834 0.80 ST14 (1.00) ST14F2PRSS1PRSS2PRSS3
SCHEMBL3793327 0.79 ST14 (0.46) ST14F2PRSS1PRSS2PRSS3
SCHEMBL16697738 0.78 MMP1 (0.51) ST14F2PRSS1PRSS2PRSS3
SCHEMBL28084793 0.77 MMP1 (0.53) ST14F2MEN1KMT2ANPC1
SCHEMBL4619841 0.75 PLAU (0.54) F2PRSS1PRSS3MEN1KMT2A
SCHEMBL1971812 0.75 KMT2A (0.54) ST14F2PRSS1PRSS2PRSS3
SCHEMBL8509253 0.74 PARP15 (0.47) ST14F2PRSS1PRSS2PRSS3
SCHEMBL10034912 0.73 PARP10 (0.63) ST14F2PRSS1PRSS2PRSS3
SCHEMBL23759 0.72 MEN1 (0.79) ST14F2PRSS1PRSS2PRSS3

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 4 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
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 ST14 216/4885F2 112/4885PRSS1 3/4885
US-20120136002-A1 PROTEASE INHIBITORS SERPINB1, TMPRSS15, PRSS1 ST14 216/4885F2 112/4885PRSS1 3/4885

“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.