SCHEMBL214372

SCHEMBL214372

Nc1ccc(OCc2ccncc2)cc1[N+](=O)[O-]

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.62
TLR4 O00206 1/20 0.50
TLR2 O60603 1/20 0.50
MGMT P16455 1/20 0.49
RAB9A P51151 2/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
NPC1 O15118 1/20 0.48
ATM Q13315 1/20 0.48
ALDH1A1 P00352 3/20 0.47
LMNA P02545 2/20 0.47
NPSR1 Q6W5P4 1/20 0.46
TDP1 Q9NUW8 3/20 0.45
POLB P06746 1/20 0.45
CYP3A4 P08684 1/20 0.45
ALOX15 P16050 1/20 0.45
SLC2A1 P11166 2/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44

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
SCHEMBL30040863 0.86 RAB9A (0.53) MAPTTLR4TLR2RAB9AMEN1
SCHEMBL810368 0.86 RAB9A (0.53) MAPTTLR4TLR2RAB9AMEN1
SCHEMBL4314849 0.84 MAPT (0.54) MAPTMGMTRAB9AMEN1KMT2A
SCHEMBL28095853 0.83 MAPT (0.53) MAPTTLR4TLR2RAB9AMEN1
SCHEMBL5087371 0.83 ALDH1A1 (0.53) MAPTTLR4TLR2MGMTMEN1
SCHEMBL6643739 0.83 MAOB (0.50) MAPTTLR4TLR2MEN1KMT2A
SCHEMBL215742 0.80 TLR4 (0.47) MAPTTLR4TLR2RAB9AMEN1
SCHEMBL3181584 0.79 MAPT (0.64) MAPTRAB9AMEN1KMT2AALDH1A1
SCHEMBL213186 0.79 NOS3 (0.49) MAPTTLR4TLR2MGMTRAB9A
SCHEMBL11420051 0.79 MAPT (0.62) MAPTRAB9AMEN1KMT2ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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 MAPT 2138/4885TLR4 2291/4885TLR2 635/4885

“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.