SCHEMBL5428477

SCHEMBL5428477

COC(=O)C(Nc1ccc(C#N)cc1)c1cc(OC)c(OCc2ccccc2)cc1[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
MAPT P10636 3/20 0.47
ALDH1A1 P00352 3/20 0.46
CTSV O60911 3/20 0.44
CTSL P07711 3/20 0.44
F2 P00734 6/20 0.43
PRSS1 P07477 6/20 0.43
F7 P08709 6/20 0.43
F10 P00742 5/20 0.43
PRSS2 P07478 1/20 0.43
F3 P13726 1/20 0.43
PRSS3 P35030 1/20 0.43
HPGD P15428 1/20 0.43
SGMS2 Q8NHU3 2/20 0.43
LMNA P02545 1/20 0.41
GAA P10253 1/20 0.41
ABCB1 P08183 1/20 0.40
CYP19A1 P11511 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
SCHEMBL5883042 0.94 F2 (0.48) MEN1KMT2AMAPTALDH1A1CTSV
SCHEMBL5519237 0.92 MEN1 (0.48) MEN1KMT2AMAPTALDH1A1CTSV
SCHEMBL7142253 0.90 F2 (0.54) MEN1KMT2AMAPTALDH1A1CTSV
SCHEMBL5512394 0.87 MEN1 (0.45) MEN1KMT2AMAPTALDH1A1CTSV
SCHEMBL5417391 0.86 LMNA (0.41) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL5516598 0.85 SGMS2 (0.44) MEN1KMT2AMAPTALDH1A1CTSV
SCHEMBL7146245 0.84 F2 (0.46) MEN1KMT2AMAPTALDH1A1F2
SCHEMBL7146243 0.84 F2 (0.46) MEN1KMT2AMAPTALDH1A1F2
SCHEMBL7860218 0.83 MEN1 (0.45) MEN1KMT2AMAPTALDH1A1CTSV
SCHEMBL5883190 0.81 F2 (0.54) MEN1KMT2AALDH1A1CTSVCTSL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7250447-B2 Acylsulfamide inhibitors of factor VIIa GENENTECH, INC. (US) 2007-07-31 US disclosed
US-7250447-B2 Acylsulfamide inhibitors of factor VIIa GENENTECH, INC. (US) 2007-07-31 US disclosed
US-20070037813-A1 Serine Protease Inhibitors GENENTECH, INC. (US) 2007-02-15 US disclosed
US-20070037813-A1 Serine Protease Inhibitors GENENTECH, INC. (US) 2007-02-15 US disclosed
US-20070037814-A1 ACYLSULFAMIDE INHIBITORS OF FACTOR VIIa GENENTECH, INC. (US) 2007-02-15 US disclosed
US-20070037814-A1 ACYLSULFAMIDE INHIBITORS OF FACTOR VIIa GENENTECH, INC. (US) 2007-02-15 US disclosed
EP-1628954-A2 ACYLSULFAMIDE INHIBITORS OF FACTOR VIIA Genentech, Inc. (US) 2006-03-01 EP 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
WO-2004113278-A2 ACYLSULFAMIDE INHIBITORS OF FACTOR VIIA GENENTECH, INC. (US) 2004-12-29 WO disclosed
US-20040242585-A1 Acylsulfamide inhibitors of factor VIIa GENENTECH, INC. 2004-12-02 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 (5 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
US-20070037814-A1 ACYLSULFAMIDE INHIBITORS OF FACTOR VIIa TFPI, HABP2, TFPI2 MEN1 1653/4885KMT2A 722/4885MAPT 4757/4885
US-20040242585-A1 Acylsulfamide inhibitors of factor VIIa TFPI, TFPI2, HABP2 MEN1 1264/4885KMT2A 830/4885MAPT 4778/4885

“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.