Sugi Predict

Sugi Predict / Compounds / SCHEMBL3035014

SCHEMBL3035014

SCHEMBL3035014

O=C(Cn1cnc2cccc([N+](=O)[O-])c21)Nc1ccc2c(c1)OCO2

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.64
▸ MEN1 O00255 2/20 0.64
▸ KMT2A Q03164 2/20 0.64
▸ SMN1; SMN2 Q16637 7/20 0.63
▸ RAB9A P51151 4/20 0.63
▸ POLB P06746 2/20 0.59
▸ NPC1 O15118 3/20 0.57
▸ TP53 P04637 1/20 0.55
▸ ALDH1A1 P00352 3/20 0.55
▸ MCL1 Q07820 1/20 0.55
▸ HTT P42858 1/20 0.52
▸ L3MBTL1 Q9Y468 2/20 0.51
▸ PKM P14618 1/20 0.51
▸ TDP1 Q9NUW8 1/20 0.50
▸ LMNA P02545 1/20 0.48

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
SCHEMBL3042605 0.94 SMN1; SMN2 (0.63) MAPTMEN1KMT2ASMN1; SMN2RAB9A
SCHEMBL4973721 0.83 SMN1; SMN2 (0.51) MAPTMEN1KMT2ASMN1; SMN2RAB9A
SCHEMBL3039155 0.82 SMN1; SMN2 (0.64) MAPTMEN1KMT2ASMN1; SMN2RAB9A
SCHEMBL3042107 0.82 SMN1; SMN2 (0.64) MAPTMEN1KMT2ASMN1; SMN2POLB
SCHEMBL4978408 0.82 L3MBTL1 (0.57) MAPTMEN1KMT2ASMN1; SMN2RAB9A
SCHEMBL3043010 0.82 ALDH1A1 (0.63) MAPTMEN1KMT2ASMN1; SMN2RAB9A
SCHEMBL3043392 0.82 SMN1; SMN2 (0.54) MAPTMEN1KMT2ASMN1; SMN2RAB9A
SCHEMBL3038683 0.81 L3MBTL1 (0.58) MAPTMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL3037915 0.80 SMN1; SMN2 (0.53) MAPTMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL3042865 0.80 SMN1; SMN2 (0.53) MAPTMEN1KMT2ASMN1; SMN2RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2042490-A2 Benzimidazole derivatives as vanilloid receptor antagonists AstraZeneca AB (SE) 2009-04-01 — — EP claimed
EP-1626964-B1 NEW BENZIMIDAZOLE DERIVATIVES ASTRAZENECA AB (SE) 2009-01-21 — — EP claimed
US-20060287377-A1 New benzimidazole derivatives ASTRAZENECA AB (SE) 2006-12-21 — — US claimed
EP-1626964-A2 NEW BENZIMIDAZOLE DERIVATIVES AstraZeneca AB (SE) 2006-02-22 — — EP claimed
WO-2004100865-A2 NEW BENZIMIDAZOLE DERIVATIVES ASTRAZENECA AB (SE) 2004-11-25 — — WO claimed
US-7645784-B2 Benzimidazole derivatives ASTRAZENECA AB (SE) 2010-01-12 — — US disclosed
EP-2042490-A2 Benzimidazole derivatives as vanilloid receptor antagonists AstraZeneca AB (SE) 2009-04-01 — — EP disclosed
EP-1626964-B1 NEW BENZIMIDAZOLE DERIVATIVES ASTRAZENECA AB (SE) 2009-01-21 — — EP disclosed
US-20060287377-A1 New benzimidazole derivatives ASTRAZENECA AB (SE) 2006-12-21 — — US disclosed
EP-1626964-A2 NEW BENZIMIDAZOLE DERIVATIVES AstraZeneca AB (SE) 2006-02-22 — — EP disclosed
WO-2004100865-A2 NEW BENZIMIDAZOLE DERIVATIVES ASTRAZENECA AB (SE) 2004-11-25 — — 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-20060287377-A1 New benzimidazole derivatives CYP2C9, CDK9, CCNI MAPT 2393/4885MEN1 1947/4885KMT2A 2653/4885

“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.