SCHEMBL12443345

SCHEMBL12443345

O=[N+]([O-])c1ccc(O)c(C2NN=C(c3ccccc3)S2)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 6/20 0.64
▸ KMT2A Q03164 6/20 0.64
▸ NPC1 O15118 4/20 0.64
▸ RAB9A P51151 4/20 0.64
▸ POLB P06746 1/20 0.64
▸ MAPT P10636 9/20 0.59
▸ GAA P10253 2/20 0.59
▸ LMNA P02545 1/20 0.59
▸ MECP2 P51608 3/20 0.51
▸ MBD2 Q9UBB5 3/20 0.51
▸ ALDH1A1 P00352 3/20 0.49
▸ SMN1; SMN2 Q16637 3/20 0.44
▸ NFKB1 P19838 1/20 0.44
▸ NFKB2 Q00653 1/20 0.44
▸ RELA Q04206 1/20 0.44
▸ HSP90AA1 P07900 2/20 0.44
▸ CASP3 P42574 1/20 0.43
▸ SENP8 Q96LD8 1/20 0.43
▸ SENP7 Q9BQF6 1/20 0.43
▸ SENP6 Q9GZR1 1/20 0.43

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
SCHEMBL6278966 0.82 MEN1 (0.74) MEN1KMT2ANPC1RAB9APOLB
SCHEMBL28056334 0.82 MECP2 (0.62) MEN1KMT2ANPC1RAB9APOLB
SCHEMBL12316795 0.80 MAPT (0.48) MEN1KMT2ANPC1RAB9APOLB
SCHEMBL13408297 0.74 MAPT (0.63) MEN1KMT2ANPC1RAB9APOLB
SCHEMBL6267593 0.68 MECP2 (1.00) MEN1KMT2ANPC1RAB9APOLB
SCHEMBL31167616 0.68 MEN1 (0.59) MEN1KMT2ANPC1RAB9APOLB
SCHEMBL536487 0.68 MEN1 (0.59) MEN1KMT2ANPC1RAB9APOLB
SCHEMBL11252042 0.68 HSP90AA1 (0.52) MEN1KMT2APOLBMAPTGAA
SCHEMBL12692358 0.67 MECP2 (1.00) MEN1KMT2ANPC1RAB9APOLB
Water SCHEMBL28144477 0.67 MEN1 (0.58) MEN1KMT2ANPC1RAB9APOLB

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-8785452-B2 Anti-infective compounds INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (FR) 2014-07-22 — — US disclosed
US-20110178077-A1 Anti-infective compounds INSTITUT PASTEUR KOREA (KR) 2011-07-21 — — 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-20110178077-A1 Anti-infective compounds RABGGTB, ELANE, SERPINB1 MEN1 3685/4885KMT2A 4781/4885NPC1 402/4885

“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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