SCHEMBL14936878

SCHEMBL14936878

N=C(c1nonc1N)N(O)c1cccc(-c2ccccc2)c1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 9/20 0.38
MAPT P10636 2/20 0.37
ALDH1A1 P00352 3/20 0.36
AKT1 P31749 1/20 0.36
PRSS1 P07477 1/20 0.36
PRSS2 P07478 1/20 0.36
PRSS3 P35030 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C19 P33261 1/20 0.35
POLB P06746 1/20 0.34
ALOX15 P16050 1/20 0.34
MAOA P21397 1/20 0.33
LMNA P02545 1/20 0.33
KDM4E B2RXH2 1/20 0.33
KMT2A Q03164 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
SCHEMBL14237485 0.83 IDO1 (0.48) IDO1MAPTAKT1NPC1RAB9A
SCHEMBL4055463 0.83 IDO1 (0.39) IDO1MAPTALDH1A1AKT1NPC1
SCHEMBL4049583 0.82 MAP4K4 (0.47) IDO1MAPTALDH1A1NPC1RAB9A
SCHEMBL9995495 0.80 TSHR (0.38) IDO1MAPTALDH1A1AKT1PRSS1
SCHEMBL16320974 0.80 IDO1 (0.36) IDO1MAPTALDH1A1SMN1; SMN2NPC1
SCHEMBL16341406 0.80 IDO1 (0.50) IDO1MAPTALDH1A1SMN1; SMN2NPC1
SCHEMBL16340838 0.80 IDO1 (0.40) IDO1MAPTALDH1A1NPC1RAB9A
SCHEMBL4050159 0.80 NPC1 (0.39) IDO1MAPTALDH1A1SMN1; SMN2NPC1
SCHEMBL6046592 0.80 IDO1 (0.36) IDO1NPC1RAB9ALMNA
SCHEMBL16340917 0.77 IDO1 (0.35) IDO1ALDH1A1SMN1; SMN2NPC1RAB9A

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
US-20140377292-A1 MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE AND METHODS OF USING THE SAME INCYTE CORPORATION (US) 2014-12-25 US claimed
US-20130123246-A1 MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE AND METHODS OF USING THE SAME INCYTE CORPORATION (US) 2013-05-16 US claimed
EP-3085697-A1 MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE AND METHODS OF USING THE SAME Incyte Holdings Corporation (US) 2016-10-26 EP 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 (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-20140377292-A1 MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE AND METHODS OF USING THE SAME IDO1, IDO2, INMT IDO1 1/4885MAPT 3106/4885ALDH1A1 902/4885
US-20130123246-A1 MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE AND METHODS OF USING THE SAME IDO1, IDO2, INMT IDO1 1/4885MAPT 3106/4885ALDH1A1 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.