SCHEMBL9995495

SCHEMBL9995495

N=C(c1nonc1N)N(O)c1ccc2ccccc2c1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.38
KMT2A Q03164 1/20 0.38
IDO1 P14902 6/20 0.36
ALDH1A1 P00352 3/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
F2 P00734 1/20 0.34
PLG P00747 1/20 0.34
PLAU P00749 1/20 0.34
KLKB1 P03952 1/20 0.34
KLK1 P06870 1/20 0.34
PRSS1 P07477 1/20 0.34
AKT1 P31749 2/20 0.34
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
BTK Q06187 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
SCHEMBL6046574 0.81 F2 (0.40) IDO1GAAMAPTF2NPC1
SCHEMBL16321277 0.80 IDO1 (0.39) KMT2AIDO1ALDH1A1GAAMAPT
SCHEMBL16321603 0.80 NPC1 (0.44) TSHRKMT2AIDO1ALDH1A1GAA
SCHEMBL14237485 0.78 IDO1 (0.48) KMT2AIDO1MAPTAKT1NPC1
SCHEMBL14693884 0.78 IDO1 (0.53) KMT2AIDO1ALDH1A1MAPTNPC1
SCHEMBL4055463 0.78 IDO1 (0.39) IDO1ALDH1A1GAAMAPTAKT1
SCHEMBL16341406 0.78 IDO1 (0.50) IDO1ALDH1A1MAPTNPC1RAB9A
SCHEMBL4052452 0.77 PKM (0.43) KMT2AIDO1MAPTSMN1; SMN2
SCHEMBL14693803 0.77 POLB (0.47) KMT2AIDO1ALDH1A1MAPTAKT1
SCHEMBL4048995 0.77 KMT2A (0.41) TSHRKMT2AIDO1ALDH1A1GAA

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 3 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
US-20110311479-A1 MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE AND METHODS OF USING THE SAME INCYTE CORPORATION, A DELAWARE CORPORATION 2011-12-22 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-20110311479-A1 MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE AND METHODS OF USING THE SAME IDO1, IDO2, INMT TSHR 2036/4885KMT2A 633/4885IDO1 1/4885
US-20140377292-A1 MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE AND METHODS OF USING THE SAME IDO1, IDO2, INMT TSHR 2036/4885KMT2A 633/4885IDO1 1/4885

“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.