SCHEMBL5457576

SCHEMBL5457576

CC(C)(C)OC(=O)N(CCNc1nc2ccccc2[n+]([O-])n1)CCNc1nc2ccccc2[n+]([O-])n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.47
BCHE P06276 1/20 0.38
HDAC3 O15379 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
NCOR2 Q9Y618 1/20 0.34
CA14 Q9ULX7 1/20 0.34
GAA P10253 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
PAX8 Q06710 1/20 0.33
CKS1B P61024 1/20 0.33
SKP1 P63208 1/20 0.33
SKP2 Q13309 1/20 0.33
GBA1 P04062 1/20 0.33
ALDH1A1 P00352 3/20 0.33
MAPT P10636 2/20 0.33
HPGD P15428 2/20 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
SCHEMBL5457937 0.95 IDO1 (0.45) IDO1BCHEHDAC3HDAC1HDAC2
SCHEMBL14428363 0.89 IDO1 (0.47) IDO1BCHEHDAC3HDAC1HDAC2
SCHEMBL25245106 0.82 IDO1 (0.48) IDO1BCHEGAAMEN1KMT2A
SCHEMBL14428356 0.80 IDO1 (0.60) IDO1BCHEBRD4
SCHEMBL6678946 0.77 NCF1 (0.44) GAAKMT2ANPC1RAB9AKDM1A
SCHEMBL6676526 0.76 IDO1 (0.41) IDO1BCHEGAAKMT2ANPC1
SCHEMBL5469464 0.76 IDO1 (0.49) IDO1HDAC3HDAC1HDAC2NPC1
SCHEMBL5455350 0.76 IDO1 (0.40) IDO1GAAALDH1A1MAPTHPGD
SCHEMBL5461883 0.75 IDO1 (0.42) IDO1BCHEHDAC3HDAC1MEN1
SCHEMBL6679508 0.75 IDO1 (0.41) IDO1BCHEKMT2ANPC1RAB9A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070191372-A1 Dna-targeted benzotriazine 1,4-dioxides and their use in cancer therapy AUCKLAND UNISERVICES LIMITED (NZ) 2007-08-16 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 (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-20070191372-A1 Dna-targeted benzotriazine 1,4-dioxides and their use in cancer therapy HIF1AN, HIF1A, HYOU1 IDO1 924/4885BCHE 4294/4885HDAC3 1522/4885

“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.