SCHEMBL6046652

SCHEMBL6046652

COc1ccc(Cl)cc1N(O)C(=N)c1nonc1N

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
IDO1 P14902 4/20 0.40
MAPK1 P28482 1/20 0.39
MAPT P10636 5/20 0.37
GAA P10253 1/20 0.36
PKM P14618 1/20 0.36
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
HTT P42858 3/20 0.36
LMNA P02545 1/20 0.36
TSHR P16473 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
RECQL P46063 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
SCHEMBL16321536 0.81 IDO1 (0.44) RAB9AIDO1MAPTGAAPKM
SCHEMBL4051675 0.81 SMN1; SMN2 (0.41) SMN1; SMN2NPC1RAB9AIDO1MAPK1
SCHEMBL6046573 0.77 MAPT (0.43) SMN1; SMN2NPC1RAB9AIDO1MAPK1
SCHEMBL12054424 0.75 KMT2A (0.48) SMN1; SMN2NPC1RAB9AMAPK1KMT2A
SCHEMBL14693884 0.74 IDO1 (0.53) NPC1RAB9AIDO1MAPTPKM
SCHEMBL16321109 0.72 IDO1 (0.42) RAB9AIDO1MAPTPKMKMT2A
SCHEMBL6046615 0.71 GAA (0.42) RAB9AIDO1MAPTGAAPKM
SCHEMBL19812520 0.70 KMT2A (0.39) SMN1; SMN2NPC1RAB9AIDO1MAPT
SCHEMBL17595973 0.70 MAPT (0.41) SMN1; SMN2RAB9AIDO1MAPTGAA
SCHEMBL16321277 0.69 IDO1 (0.39) RAB9AIDO1MAPTGAAPKM

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
US-20060258719-A1 Modulators of indoleamine 2,3-dioxygenase and methods of using the same INCYTE CORPORATION 2006-11-16 US claimed
EP-1879573-B1 MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE AND METHODS OF USING THE SAME INCYTE CORP (US) 2012-12-19 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 (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 SMN1; SMN2 4675/4885NPC1 4033/4885RAB9A 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.