SCHEMBL6046574

SCHEMBL6046574

N=C(c1nonc1N)N(O)c1ccc2[nH]ccc2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.40
PRKCI P41743 1/20 0.39
USP2 O75604 1/20 0.36
GAA P10253 1/20 0.36
ALOX15 P16050 1/20 0.36
RAD51 Q06609 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
NPC1 O15118 1/20 0.34
MAPT P10636 1/20 0.34
RAB9A P51151 1/20 0.34
GFER P55789 1/20 0.33
SLC6A2 P23975 5/20 0.33
SLC6A4 P31645 5/20 0.33
SLC6A3 Q01959 4/20 0.33
PI4K2A Q9BTU6 1/20 0.33
BRD4 O60885 1/20 0.33
AHR P35869 3/20 0.33
NR4A2 P43354 2/20 0.33
CYP2A6 P11509 1/20 0.33
F7 P08709 1/20 0.33

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
SCHEMBL9995495 0.81 TSHR (0.38) F2GAANPC1MAPTRAB9A
SCHEMBL12053005 0.78 PRKCI (0.52) F2PRKCINPC1MAPTRAB9A
SCHEMBL16321277 0.76 IDO1 (0.39) GAAMAPTRAB9AIDO1
SCHEMBL4052452 0.74 PKM (0.43) MAPTIDO1
SCHEMBL14693803 0.74 POLB (0.47) NPC1MAPTRAB9AGFERIDO1
SCHEMBL16321603 0.74 NPC1 (0.44) GAANPC1MAPTRAB9AIDO1
SCHEMBL6046589 0.73 LMNA (0.38) NPC1MAPTRAB9AGFERIDO1
SCHEMBL16341362 0.73 IDO1 (0.37) NPSR1MAPTGFERIDO1
SCHEMBL6046626 0.73 IDO1 (0.49) RAB9AIDO1
SCHEMBL16321669 0.73 IDO1 (0.50) IDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060258719-A1 Modulators of indoleamine 2,3-dioxygenase and methods of using the same INCYTE CORPORATION 2006-11-16 US 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-20060258719-A1 Modulators of indoleamine 2,3-dioxygenase and methods of using the same IDO1, IDO2, INMT F2 4345/4885PRKCI 3118/4885USP2 980/4885

“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.