SCHEMBL409789

SCHEMBL409789

CCc1ccc(Nc2ccc([N+](=O)[O-])c3nonc23)cc1

nearest known ligand 0.74

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 4/20 0.74
KMT2A Q03164 12/20 0.74
MEN1 O00255 11/20 0.74
NPC1 O15118 1/20 0.74
RAB9A P51151 1/20 0.74
MYC P01106 7/20 0.70
MAPT P10636 3/20 0.66
MAX P61244 3/20 0.66
PSMD14 O00487 1/20 0.66
RXFP1 Q9HBX9 1/20 0.66
OPRK1 P41145 1/20 0.61
L3MBTL1 Q9Y468 2/20 0.60
MAPK1 P28482 1/20 0.60
TDP1 Q9NUW8 1/20 0.60
POLB P06746 1/20 0.55
GAA P10253 1/20 0.55
USP2 O75604 1/20 0.55
HTT P42858 1/20 0.55
RECQL P46063 1/20 0.55

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
SCHEMBL22030234 0.85 MEN1 (0.73) IDO1KMT2AMEN1NPC1RAB9A
SCHEMBL300424 0.85 IDO1 (1.00) IDO1KMT2AMEN1NPC1RAB9A
SCHEMBL2459654 0.85 MEN1 (1.00) IDO1KMT2AMEN1NPC1RAB9A
SCHEMBL3693038 0.85 IDO1 (0.67) IDO1KMT2AMEN1NPC1RAB9A
SCHEMBL6834810 0.84 IDO1 (0.78) IDO1KMT2AMEN1NPC1RAB9A
SCHEMBL16107923 0.83 MEN1 (0.73) IDO1KMT2AMEN1NPC1RAB9A
SCHEMBL12040492 0.83 MEN1 (0.67) IDO1KMT2AMEN1NPC1RAB9A
SCHEMBL6834736 0.83 IDO1 (0.76) IDO1KMT2AMEN1NPC1RAB9A
SCHEMBL6833753 0.83 IDO1 (0.76) IDO1KMT2AMEN1NPC1RAB9A
SCHEMBL3702011 0.83 IDO1 (0.76) IDO1KMT2AMEN1NPC1RAB9A

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-20120064003-A1 COMPLEX FOLATE-NOTA-Ga68 GUERBET (FR) 2012-03-15 US disclosed
US-20110229980-A1 OLIGONUCLEOTIDE PROBE AND USE THEREOF NATIONAL UNIVERSITY CORPORATION NAGOYA UNIVERSITY (JP) 2011-09-22 US disclosed
US-20110229980-A1 OLIGONUCLEOTIDE PROBE AND USE THEREOF NATIONAL UNIVERSITY CORPORATION NAGOYA UNIVERSITY (JP) 2011-09-22 US 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-20110229980-A1 OLIGONUCLEOTIDE PROBE AND USE THEREOF DCLRE1B, NSUN2, MTX2 IDO1 3062/4885KMT2A 2287/4885MEN1 2002/4885
US-20120064003-A1 COMPLEX FOLATE-NOTA-Ga68 FOLR1, FOLR2, DHFR IDO1 1487/4885KMT2A 831/4885MEN1 1282/4885

“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.