SCHEMBL3735682

SCHEMBL3735682

CC(C)(C)OC(=O)Nc1noc2ccc(CNC(=O)Cc3c(C#N)ccc(Cl)[n+]3[O-])cc12

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NSD2 O96028 1/20 0.34
F2 P00734 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
HDAC1 Q13547 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
P2RX7 Q99572 2/20 0.32
PDCD1 Q15116 3/20 0.32
CD274 Q9NZQ7 3/20 0.32
AURKA O14965 2/20 0.32
RPS6KB1 P23443 2/20 0.32
PRMT5 O14744 1/20 0.31
WDR77 Q9BQA1 1/20 0.31
CA1 P00915 2/20 0.31
CA2 P00918 2/20 0.31
MAPT P10636 1/20 0.31
AAK1 Q2M2I8 1/20 0.31
CACNA1H O95180 2/20 0.31
TP53 P04637 1/20 0.31
ALOX15 P16050 1/20 0.31

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
SCHEMBL3745909 0.94 F2 (0.37) NSD2F2NPC1RAB9AHDAC1
SCHEMBL3745661 0.82 F2 (0.50) NSD2F2AURKARPS6KB1
SCHEMBL3735970 0.76 F2 (0.55) NSD2F2
SCHEMBL3740741 0.75 NR1H4 (0.33) NSD2AAK1
SCHEMBL3737669 0.70 CYP17A1 (0.39) HDAC1HDAC6PDCD1CD274AURKA
SCHEMBL21240884 0.66 MAPT (0.46) NPC1RAB9ACA1MAPTTP53
SCHEMBL30682021 0.65 MAP4K4 (0.41) HDAC1HDAC6AURKARPS6KB1CA1
SCHEMBL2145260 0.65 ALDH1A1 (0.42) NPC1RAB9AHDAC1HDAC6CA1
SCHEMBL3740765 0.65 F2 (0.64) F2NPC1RAB9A
SCHEMBL12636152 0.65 TP53 (0.55) NPC1RAB9AMAPTTP53ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7829584-B2 Pyridines and pyridine N-oxides as modulators of thrombin JANSSEN PHARMACEUTICA NV (BE) 2010-11-09 US disclosed
US-7829584-B2 Pyridines and pyridine N-oxides as modulators of thrombin JANSSEN PHARMACEUTICA NV (BE) 2010-11-09 US disclosed
US-20070225282-A1 PYRIDINES AND PYRIDINE N-OXIDES AS MODULATORS OF THROMBIN JANSSEN PHARMACEUTICA, N.V. (BE) 2007-09-27 US disclosed
US-20070225282-A1 PYRIDINES AND PYRIDINE N-OXIDES AS MODULATORS OF THROMBIN JANSSEN PHARMACEUTICA, N.V. (BE) 2007-09-27 US disclosed
WO-2007109459-A2 PYRIDINES AND PYRIDINE N-OXIDES AS MODULATORS OF THROMBIN JANSSEN PHARMACEUTICA, NV (BE) 2007-09-27 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-20070225282-A1 PYRIDINES AND PYRIDINE N-OXIDES AS MODULATORS OF THROMBIN F2, F11, TBXAS1 NSD2 3060/4885F2 1/4885NPC1 4140/4885

“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.