SCHEMBL4048995

SCHEMBL4048995

N=C(c1nonc1N)N(O)c1cccc2ccccc12

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.41
TSHR P16473 1/20 0.41
ALDH1A1 P00352 4/20 0.41
GAA P10253 2/20 0.41
SIGMAR1 Q99720 4/20 0.40
IDO1 P14902 5/20 0.36
HSD17B10 Q99714 1/20 0.36
MAPT P10636 2/20 0.36
MEN1 O00255 1/20 0.35
POLB P06746 1/20 0.35
AKT1 P31749 1/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
DHFR P00374 1/20 0.34

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
SCHEMBL16322251 0.82 PKM (0.42) ALDH1A1IDO1MAPTAKT1NPC1
SCHEMBL6046615 0.80 GAA (0.42) KMT2AALDH1A1GAAIDO1MAPT
SCHEMBL6046559 0.77 IDO1 (0.40) ALDH1A1GAAIDO1MAPTAKT1
SCHEMBL16322347 0.76 IDO1 (0.33) KMT2ATSHRIDO1
SCHEMBL4048663 0.76 IDO1 (0.36) IDO1MAPT
SCHEMBL16341080 0.74 IDO1 (0.44) KMT2AALDH1A1GAAIDO1MAPT
SCHEMBL16321603 0.72 NPC1 (0.44) KMT2ATSHRALDH1A1GAAIDO1
SCHEMBL14693884 0.71 IDO1 (0.53) KMT2AALDH1A1IDO1MAPTMEN1
SCHEMBL14237485 0.71 IDO1 (0.48) KMT2AIDO1MAPTMEN1POLB
SCHEMBL16321536 0.71 IDO1 (0.44) KMT2ATSHRALDH1A1GAAIDO1

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
EP-3085697-A1 MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE AND METHODS OF USING THE SAME Incyte Holdings Corporation (US) 2016-10-26 EP claimed
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 KMT2A 633/4885TSHR 2036/4885ALDH1A1 902/4885

“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.