SCHEMBL5518978

SCHEMBL5518978

CCOc1ccc(C=O)c([N+](=O)[O-])c1OCC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 12/20 0.45
MEN1 O00255 11/20 0.45
MAPT P10636 8/20 0.45
NPSR1 Q6W5P4 3/20 0.45
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
CYP1A2 P05177 2/20 0.45
CYP3A4 P08684 2/20 0.45
CYP2D6 P10635 2/20 0.45
CYP2C19 P33261 2/20 0.45
HTT P42858 1/20 0.45
RECQL P46063 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
ALDH1A1 P00352 8/20 0.45
LMNA P02545 6/20 0.45
HPGD P15428 2/20 0.45
ALOX12 P18054 1/20 0.45
NTSR1 P30989 1/20 0.45
CCR6 P51684 1/20 0.45
MCL1 Q07820 1/20 0.45

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
SCHEMBL10958150 0.91 MEN1 (0.46) KMT2AMEN1MAPTNPSR1NPC1
SCHEMBL16097099 0.86 KMT2A (0.60) KMT2AMEN1MAPTNPSR1NPC1
SCHEMBL17131836 0.84 MEN1 (0.58) KMT2AMEN1MAPTNPSR1NPC1
SCHEMBL1609331 0.82 LMNA (0.47) KMT2AMEN1MAPTNPSR1NPC1
SCHEMBL1654627 0.79 LMNA (0.49) MAPTNPSR1HTTALDH1A1LMNA
SCHEMBL28284559 0.78 MAPT (0.45) KMT2AMEN1MAPTNPSR1NPC1
SCHEMBL5903298 0.78 MEN1 (0.45) KMT2AMEN1MAPTNPC1RAB9A
SCHEMBL29143292 0.77 ALDH1A1 (0.49) KMT2AMEN1MAPTNPSR1NPC1
SCHEMBL622372 0.76 KMT2A (0.51) KMT2AMEN1MAPTNPC1RAB9A
SCHEMBL30105929 0.76 KMT2A (0.51) KMT2AMEN1MAPTNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100488947-C Serine protease inhibitors GENENTECH INC (US) 2009-05-20 CN disclosed
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
CN-1342139-A Serine protease inhibitors GENENTECH INC (US) 2002-03-27 CN 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 KMT2A 1165/4885MEN1 995/4885MAPT 4012/4885
US-20070037813-A1 Serine Protease Inhibitors TFPI, SPINT2, SERPINE1 KMT2A 992/4885MEN1 1277/4885MAPT 3882/4885
US-20050186198-A1 Serine protease inhibitors TFPI, SPINT2, SERPINE1 KMT2A 992/4885MEN1 1277/4885MAPT 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.