SCHEMBL6414748

SCHEMBL6414748

COc1ccc(Nc2nc3nonc3nc2C(=NN)c2cccc([N+](=O)[O-])c2O)cc1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.43
TYMS P04818 1/20 0.39
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
MAPT P10636 4/20 0.38
HTT P42858 3/20 0.38
ALDH1A1 P00352 2/20 0.38
HPGD P15428 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
GAA P10253 3/20 0.36
PKM P14618 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
RAB9A P51151 2/20 0.36
BTK Q06187 1/20 0.36
ABCG2 Q9UNQ0 1/20 0.35
NPC1 O15118 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL6413537 0.89 MAPT (0.40) IDO1MEN1KMT2AMAPTHTT
SCHEMBL6436233 0.78 SMN1; SMN2 (0.42) MEN1KMT2AMAPTALDH1A1GAA
SCHEMBL6419556 0.78 KMT2A (0.38) MEN1KMT2AMAPTHTTALDH1A1
SCHEMBL6419567 0.78 KMT2A (0.38) MEN1KMT2AMAPTHTTALDH1A1
SCHEMBL6414744 0.77 ALDH1A1 (0.46) IDO1TYMSMEN1KMT2AMAPT
SCHEMBL6437966 0.77 ALDH1A1 (0.46) IDO1TYMSMEN1KMT2AMAPT
SCHEMBL6439207 0.75 MEN1 (0.38) MEN1KMT2AMAPTHTTALDH1A1
SCHEMBL6439214 0.75 MEN1 (0.38) MEN1KMT2AMAPTHTTALDH1A1
SCHEMBL6431540 0.75 AKR1C3 (0.38) MEN1KMT2AMAPTHTTALDH1A1
SCHEMBL6431548 0.75 AKR1C3 (0.38) MEN1KMT2AMAPTHTTALDH1A1

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-20050143382-A1 Heterocyclic compounds as pharmaceutically active compounds 4SC AG (DE) 2005-06-30 US disclosed
WO-2005044270-A1 OXADIAZOLOPYRAZINE DERIVATIVES AS PHARMACEUTICALLY ACTIVE COMPOUNDS 4SC AG (DE) 2005-05-19 WO disclosed
EP-1529531-A1 Oxadiazolopyrazine derivatives as pharmaceutically active compounds 4SC AG (DE) 2005-05-11 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-20050143382-A1 Heterocyclic compounds as pharmaceutically active compounds NR5A2, NR1H2, NR2C2 IDO1 3219/4885TYMS 2464/4885MEN1 4392/4885

“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.