SCHEMBL215742

SCHEMBL215742

CNc1ccc(OCc2ccncc2)cc1[N+](=O)[O-]

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR4 O00206 1/20 0.47
TLR2 O60603 1/20 0.47
NPC1 O15118 5/20 0.45
RAB9A P51151 5/20 0.45
KMT2A Q03164 4/20 0.45
MEN1 O00255 3/20 0.45
ATM Q13315 1/20 0.45
ALDH1A1 P00352 2/20 0.44
PKM P14618 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
LMNA P02545 1/20 0.44
HCAR3 P49019 1/20 0.44
MAPT P10636 5/20 0.43
SMN1; SMN2 Q16637 3/20 0.42
SLC2A1 P11166 1/20 0.42
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
GAA P10253 2/20 0.42
TDP1 Q9NUW8 1/20 0.42

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
SCHEMBL28401947 0.86 CYP19A1 (0.52) TLR4TLR2NPC1RAB9AKMT2A
SCHEMBL214372 0.80 MAPT (0.62) TLR4TLR2NPC1RAB9AKMT2A
SCHEMBL9893444 0.76 MEN1 (0.57) TLR4TLR2NPC1RAB9AKMT2A
SCHEMBL10494876 0.76 HCAR3 (0.51) NPC1RAB9AKMT2AMEN1PKM
SCHEMBL6522547 0.76 HCAR3 (0.57) NPC1RAB9AKMT2AMEN1ALDH1A1
SCHEMBL430629 0.74 MAPT (0.59) NPC1RAB9AKMT2AMEN1ALDH1A1
SCHEMBL3181584 0.73 MAPT (0.64) RAB9AKMT2AMEN1ALDH1A1LMNA
SCHEMBL5579572 0.73 MAPT (0.56) NPC1RAB9AKMT2AMEN1ATM
SCHEMBL20982687 0.73 CHRNB2 (0.48) NPC1RAB9AKMT2AALDH1A1PKM
SCHEMBL5580003 0.73 CTSV (0.57) NPC1RAB9AKMT2AMEN1ATM

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 4 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-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 TLR4 2291/4885TLR2 635/4885NPC1 3307/4885

“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.