SCHEMBL5519237

SCHEMBL5519237

COc1cc(C(Nc2ccc(C#N)cc2)C(N)=O)c([N+](=O)[O-])cc1OCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
MAPT P10636 3/20 0.48
ALDH1A1 P00352 3/20 0.47
F2 P00734 7/20 0.47
PRSS1 P07477 7/20 0.47
F7 P08709 7/20 0.47
F10 P00742 6/20 0.47
PRSS2 P07478 2/20 0.47
F3 P13726 2/20 0.47
PRSS3 P35030 2/20 0.47
CTSV O60911 3/20 0.44
CTSL P07711 3/20 0.44
HPGD P15428 1/20 0.43
SGMS2 Q8NHU3 3/20 0.42
LMNA P02545 1/20 0.42
GAA P10253 1/20 0.42
ABCB1 P08183 1/20 0.41

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
SCHEMBL5883042 0.93 F2 (0.48) MEN1KMT2AMAPTALDH1A1F2
SCHEMBL5428477 0.92 MEN1 (0.47) MEN1KMT2AMAPTALDH1A1F2
SCHEMBL7142253 0.89 F2 (0.54) MEN1KMT2AMAPTALDH1A1F2
SCHEMBL5517078 0.87 F2 (0.50) MEN1KMT2AMAPTALDH1A1F2
SCHEMBL5512394 0.86 MEN1 (0.45) MEN1KMT2AMAPTALDH1A1CTSV
SCHEMBL5516598 0.86 SGMS2 (0.44) MEN1KMT2AMAPTALDH1A1F2
SCHEMBL7146245 0.83 F2 (0.46) MEN1KMT2AMAPTALDH1A1F2
SCHEMBL7146243 0.83 F2 (0.46) MEN1KMT2AMAPTALDH1A1F2
SCHEMBL7860218 0.83 MEN1 (0.45) MEN1KMT2AMAPTALDH1A1CTSV
SCHEMBL5882856 0.81 F2 (0.53) MEN1KMT2AALDH1A1F2PRSS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070037813-A1 Serine Protease Inhibitors GENENTECH, INC. (US) 2007-02-15 US disclosed
EP-1144373-B1 SERINE PROTEASE INHIBITORS GENENTECH INC (US) 2005-10-19 EP disclosed
US-20050186198-A1 Serine protease inhibitors GENENTECH, INC. 2005-08-25 US disclosed
US-6919369-B2 Controlling blood coagulation GENENTECH, INC. (US) 2005-07-19 US disclosed
US-20030212071-A1 Serine protease inhibitors GENENTECH, INC. 2003-11-13 US disclosed
US-6472393-B1 Serine protease inhibitors GENENTECH, INC. 2002-10-29 US disclosed
EP-1144373-A3 SERINE PROTEASE INHIBITORS Genentech, Inc. (US) 2002-01-02 EP disclosed
EP-1144373-A2 SERINE PROTEASE INHIBITORS Genentech, Inc. (US) 2001-10-17 EP disclosed
WO-2000041531-A2 SERINE PROTEASE INHIBITORS GENENTECH, INC. (US) 2000-07-20 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 (3 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-20030212071-A1 Serine protease inhibitors SERPINE1, SPINT2, TFPI MEN1 995/4885KMT2A 1165/4885MAPT 4012/4885
US-20070037813-A1 Serine Protease Inhibitors TFPI, SPINT2, SERPINE1 MEN1 1277/4885KMT2A 992/4885MAPT 3882/4885
US-20050186198-A1 Serine protease inhibitors TFPI, SPINT2, SERPINE1 MEN1 1277/4885KMT2A 992/4885MAPT 3882/4885

“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.