SCHEMBL6046559

SCHEMBL6046559

N=C(c1nonc1N)N(O)c1cccc(Cl)c1F

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 12/20 0.40
PKM P14618 2/20 0.37
RAB9A P51151 2/20 0.37
TDO2 P48775 2/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.34
ALDH1A1 P00352 2/20 0.33
AKT1 P31749 1/20 0.33
NPC1 O15118 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL6046615 0.87 GAA (0.42) IDO1PKMRAB9ATDO2GAA
SCHEMBL4048663 0.82 IDO1 (0.36) IDO1PKMTDO2MAPT
SCHEMBL16322251 0.81 PKM (0.42) IDO1PKMRAB9ATDO2MAPT
SCHEMBL4048995 0.77 KMT2A (0.41) IDO1RAB9AGAAMAPTALDH1A1
SCHEMBL16321536 0.76 IDO1 (0.44) IDO1PKMRAB9ATDO2GAA
SCHEMBL19812520 0.76 KMT2A (0.39) IDO1RAB9AMAPTALDH1A1AKT1
SCHEMBL12053696 0.75 IDO1 (0.42) IDO1PKMRAB9ATDO2GAA
SCHEMBL6046626 0.74 IDO1 (0.49) IDO1PKMRAB9ATDO2ALDH1A1
SCHEMBL16341080 0.74 IDO1 (0.44) IDO1PKMRAB9AGAAMAPT
SCHEMBL14693884 0.74 IDO1 (0.53) IDO1PKMRAB9ATDO2MAPT

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
EP-3085697-A1 MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE AND METHODS OF USING THE SAME Incyte Holdings Corporation (US) 2016-10-26 EP disclosed
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 IDO1 1/4885PKM 1661/4885RAB9A 4389/4885

“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.