SCHEMBL3507002

SCHEMBL3507002

Cc1coc(-c2cccc(Oc3ccc([N+](=O)[O-])cc3Cl)c2)n1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.52
KMT2A Q03164 6/20 0.52
ALDH1A1 P00352 8/20 0.48
MAPT P10636 6/20 0.48
SMN1; SMN2 Q16637 5/20 0.48
LMNA P02545 4/20 0.48
KDM4E B2RXH2 1/20 0.48
PDE7A Q13946 1/20 0.47
GAA P10253 1/20 0.47
PKM P14618 1/20 0.47
GPR55 Q9Y2T6 1/20 0.46
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
CASP3 P42574 1/20 0.45
HSP90AA1 P07900 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
HPGD P15428 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
MAOB P27338 1/20 0.40

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
SCHEMBL3506916 0.89 MEN1 (0.49) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL3508248 0.81 L3MBTL1 (0.37) KMT2AALDH1A1MAPTSMN1; SMN2KDM4E
SCHEMBL20501917 0.79 NPC1 (0.55) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL3505561 0.77 MEN1 (0.51) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL3506538 0.75 MEN1 (0.49) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL4790993 0.75 MAPT (0.71) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL2529627 0.74 ALDH1A1 (0.67) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL3507108 0.73 MEN1 (0.48) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL3506576 0.73 PDE7A (0.66) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL3505292 0.73 MEN1 (0.60) MEN1KMT2AALDH1A1MAPTSMN1; SMN2

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-20100216788-A1 FUSED HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-08-26 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-20100216788-A1 FUSED HETEROCYCLIC COMPOUND GRK6, FGFR1, PTK6 MEN1 1237/4885KMT2A 186/4885ALDH1A1 2073/4885

“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.