SCHEMBL214250

SCHEMBL214250

CCOC(=O)COc1ccc([N+](=O)[O-])c([N+](=O)[O-])c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.57
MAPT P10636 4/20 0.57
LMNA P02545 3/20 0.57
NPSR1 Q6W5P4 2/20 0.57
HPGD P15428 2/20 0.57
CYP1A2 P05177 1/20 0.57
CYP3A4 P08684 1/20 0.57
CYP2C9 P11712 1/20 0.57
NTSR1 P30989 1/20 0.57
CYP2C19 P33261 1/20 0.57
GAA P10253 2/20 0.55
KDM4E B2RXH2 1/20 0.52
HSD17B10 Q99714 1/20 0.52
SMN1; SMN2 Q16637 3/20 0.50
NPC1 O15118 3/20 0.50
RAB9A P51151 3/20 0.50
POLB P06746 1/20 0.50
MAPK1 P28482 1/20 0.50
TDP1 Q9NUW8 1/20 0.48
KMT2A Q03164 1/20 0.48

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
SCHEMBL8864730 0.90 NPC1 (0.60) ALDH1A1MAPTLMNANPSR1HPGD
SCHEMBL31255517 0.90 MAPT (0.56) ALDH1A1MAPTLMNANPSR1HPGD
SCHEMBL8322813 0.89 MAPT (0.56) ALDH1A1MAPTLMNANPSR1HPGD
SCHEMBL30680765 0.88 MAPT (0.54) ALDH1A1MAPTLMNANPSR1HPGD
SCHEMBL17066157 0.88 MAPT (0.57) ALDH1A1MAPTLMNANPSR1HPGD
SCHEMBL31415261 0.88 MAPT (0.57) ALDH1A1MAPTLMNANPSR1HPGD
SCHEMBL16408222 0.88 MAPT (0.54) ALDH1A1MAPTLMNANPSR1HPGD
SCHEMBL17937091 0.87 NPSR1 (0.51) ALDH1A1MAPTLMNANPSR1HPGD
SCHEMBL2325339 0.87 MAPT (0.53) ALDH1A1MAPTLMNANPSR1HPGD
SCHEMBL12238281 0.85 MAPT (0.61) ALDH1A1MAPTLMNANPSR1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180104364-A1 TEXAPHYRIN-PHOSPHOLIPID CONJUGATES AND METHODS OF PREPARING SAME UNIVERSITY HEALTH NETWORK (CA) 2018-04-19 US disclosed
WO-2016165006-A1 TEXAPHYRIN-PHOSPHOLIPID CONJUGATES AND METHODS OF PREPARING SAME UNIVERSITY HEALTH NETWORK (CA) 2016-10-20 WO disclosed
US-8088767-B2 JAK-2 modulators and methods of use EXELIXIS, INC. (US) 2012-01-03 US disclosed
US-8088767-B2 JAK-2 modulators and methods of use EXELIXIS, INC. (US) 2012-01-03 US disclosed
US-20100136136-A1 JAK-2 Modulators and Methods of Use EXELIXIS, INC. (US) 2010-06-03 US disclosed
US-20100136136-A1 JAK-2 Modulators and Methods of Use EXELIXIS, INC. (US) 2010-06-03 US disclosed
US-7566789-B2 Benzimidazole derivatives MERCK PATENT GMBH (DE) 2009-07-28 US disclosed
US-7566789-B2 Benzimidazole derivatives MERCK PATENT GMBH (DE) 2009-07-28 US disclosed
EP-2061768-A2 IMIDAZOLE-4,5-DICARBOXAMIDE DERIVATIVES AS JAK-2 MODULATORS Exelixis, Inc. (US) 2009-05-27 EP disclosed
WO-2008042282-A2 IMIDAZOLE-4, 5-DICARBOXAMIDE DERIVATIVES AS JAK-2 MODULATORS EXELIXIS, INC. (US) 2008-04-10 WO disclosed
EP-1558247-B1 BENZIMIDAZOLE DERIVATIVES MERCK PATENT GMBH (DE) 2008-02-20 EP disclosed
WO-2004017963-A1 BENZIMIDAZOLE DERIVATIVES MERCK PATENT GMBH (DE) 2004-03-04 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-20100136136-A1 JAK-2 Modulators and Methods of Use JAK2, JAK1, JAK3 ALDH1A1 4295/4885MAPT 2138/4885LMNA 4821/4885
US-20180104364-A1 TEXAPHYRIN-PHOSPHOLIPID CONJUGATES AND METHODS OF PREPARING SAME PLTP, PHOSPHO1, TEX13A ALDH1A1 4042/4885MAPT 4330/4885LMNA 781/4885

“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.