SCHEMBL1260165

SCHEMBL1260165

O=C(O)N(Cc1ccccc1)c1ccc(Oc2ccc([N+](=O)[O-])nc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.48
▸ LMNA P02545 2/20 0.48
▸ RNF4 P78317 1/20 0.47
▸ NR3C1 P04150 2/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ PTGES O14684 1/20 0.41
▸ GAA P10253 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ ATM Q13315 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
SCHEMBL1260162 1.00 ALDH1A1 (0.48) ALDH1A1LMNARNF4NR3C1SMN1; SMN2
SCHEMBL1258225 0.85 ALDH1A1 (0.40) ALDH1A1LMNASMN1; SMN2KDM4EMEN1
SCHEMBL1258227 0.85 ALDH1A1 (0.40) ALDH1A1LMNASMN1; SMN2KDM4EMEN1
SCHEMBL1259107 0.85 KDM4E (0.39) ALDH1A1LMNANR3C1SMN1; SMN2KDM4E
SCHEMBL1259102 0.85 KDM4E (0.39) ALDH1A1LMNANR3C1SMN1; SMN2KDM4E
SCHEMBL1260519 0.81 RNF4 (0.51) RNF4NR3C1SMN1; SMN2PTGESGAA
SCHEMBL29806360 0.79 PIN1 (0.47) ALDH1A1LMNAKDM4ETSHRRAB9A
SCHEMBL2659166 0.79 PIN1 (0.47) ALDH1A1LMNAKDM4ETSHRRAB9A
SCHEMBL4551195 0.79 SMN1; SMN2 (0.41) ALDH1A1SMN1; SMN2KDM4EMEN1KMT2A
SCHEMBL12892581 0.74 MAPT (0.54) ALDH1A1LMNASMN1; SMN2MEN1KMT2A

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-20110046169-A1 FUSED HETEROCYCLIC DERIVATIVES AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-02-24 — — US disclosed
WO-2009136663-A1 FUSED HETEROCYCLIC DERIVATIVES AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-11-12 — — WO 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-20110046169-A1 FUSED HETEROCYCLIC DERIVATIVES AND USE THEREOF ABL1, MAP4K2, MAP3K20 ALDH1A1 2255/4885LMNA 3734/4885RNF4 2307/4885

“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.

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