SCHEMBL4052452

SCHEMBL4052452

N=C(c1nonc1N)N(O)c1ccc(F)cc1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.43
IDO1 P14902 13/20 0.36
SMN1; SMN2 Q16637 1/20 0.34
LMNA P02545 1/20 0.34
TDO2 P48775 2/20 0.33
IKBKE Q14164 1/20 0.33
MAPT P10636 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 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
SCHEMBL14693803 0.85 POLB (0.47) IDO1SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL4039861 0.81 IDO1 (0.37) PKMIDO1SMN1; SMN2LMNATDO2
SCHEMBL16321669 0.81 IDO1 (0.50) IDO1TDO2
SCHEMBL6046626 0.81 IDO1 (0.49) PKMIDO1TDO2IKBKEMEN1
SCHEMBL16321277 0.78 IDO1 (0.39) PKMIDO1TDO2IKBKEMAPT
SCHEMBL16321293 0.78 IDO1 (0.37) PKMIDO1TDO2
SCHEMBL9995495 0.77 TSHR (0.38) IDO1SMN1; SMN2MAPTKMT2A
SCHEMBL16322251 0.77 PKM (0.42) PKMIDO1SMN1; SMN2TDO2MAPT
SCHEMBL16321109 0.76 IDO1 (0.42) PKMIDO1TDO2IKBKEMAPT
SCHEMBL16321603 0.75 NPC1 (0.44) PKMIDO1SMN1; SMN2LMNAIKBKE

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-20140377292-A1 MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE AND METHODS OF USING THE SAME INCYTE CORPORATION (US) 2014-12-25 US claimed
EP-1879573-A4 MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE AND METHODS OF USING THE SAME INCYTE CORP (US) 2009-07-08 EP claimed
EP-1879573-A1 MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE AND METHODS OF USING THE SAME Incyte Corporation (US) 2008-01-23 EP claimed
WO-2006122150-A1 MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE AND METHODS OF USING THE SAME INCYTE CORPORATION (US) 2006-11-16 WO 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 (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-20140377292-A1 MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE AND METHODS OF USING THE SAME IDO1, IDO2, INMT PKM 1661/4885IDO1 1/4885SMN1; SMN2 4675/4885

“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.