SCHEMBL6046573

SCHEMBL6046573

N=C(c1nonc1N)N(O)c1cc(Cl)ccc1[N+](=O)[O-]

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.43
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
HTT P42858 2/20 0.43
ALDH1A1 P00352 3/20 0.42
KDM4E B2RXH2 1/20 0.42
IDO1 P14902 5/20 0.39
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
POLB P06746 1/20 0.35
NOD2 Q9HC29 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
PDE7A Q13946 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
PKM P14618 1/20 0.35
NPC1 O15118 3/20 0.35
RAB9A P51151 3/20 0.35
CASP3 P42574 1/20 0.35
SENP7 Q9BQF6 1/20 0.35
KCNMA1 Q12791 1/20 0.35

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
SCHEMBL16321536 0.79 IDO1 (0.44) MAPTKMT2AMEN1HTTALDH1A1
SCHEMBL6046652 0.77 SMN1; SMN2 (0.41) MAPTKMT2AMEN1HTTIDO1
SCHEMBL14693884 0.72 IDO1 (0.53) MAPTKMT2AMEN1HTTALDH1A1
SCHEMBL16321109 0.71 IDO1 (0.42) MAPTKMT2AIDO1PKMRAB9A
SCHEMBL2520600 0.70 MAPT (0.45) MAPTKMT2AMEN1HTTALDH1A1
SCHEMBL2520605 0.70 IDO1 (0.58) MAPTKMT2AMEN1HTTIDO1
SCHEMBL2520603 0.70 MAPT (0.45) MAPTKMT2AMEN1HTTALDH1A1
SCHEMBL27922618 0.70 PDE7A (0.37) MAPTALDH1A1TSHRMAPK1POLB
SCHEMBL6046615 0.69 GAA (0.42) MAPTKMT2AMEN1ALDH1A1IDO1
SCHEMBL16321277 0.68 IDO1 (0.39) MAPTKMT2AALDH1A1KDM4EIDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140377292-A1 MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE AND METHODS OF USING THE SAME INCYTE CORPORATION (US) 2014-12-25 US claimed
US-20060258719-A1 Modulators of indoleamine 2,3-dioxygenase and methods of using the same INCYTE CORPORATION 2006-11-16 US claimed

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-20060258719-A1 Modulators of indoleamine 2,3-dioxygenase and methods of using the same IDO1, IDO2, INMT MAPT 3106/4885KMT2A 633/4885MEN1 3670/4885
US-20140377292-A1 MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE AND METHODS OF USING THE SAME IDO1, IDO2, INMT MAPT 3106/4885KMT2A 633/4885MEN1 3670/4885

“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.