SCHEMBL15570972

SCHEMBL15570972

Nc1cc(Cl)c(I)nc1[N+](=O)[O-]

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 9/20 0.46
▸ CYP3A4 P08684 2/20 0.46
▸ MAPT P10636 6/20 0.41
▸ LMNA P02545 2/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ TP53 P04637 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ XBP1 P17861 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ TLR9 Q9NR96 1/20 0.41
▸ MEN1 O00255 3/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ GALR3 O60755 1/20 0.37
▸ PDE7A Q13946 1/20 0.36
▸ DHFR P00374 1/20 0.35
▸ S1PR4 O95977 1/20 0.35
▸ TDP1 Q9NUW8 4/20 0.35
▸ TSHR P16473 4/20 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
SCHEMBL12477761 0.79 ALDH1A1 (0.43) ALDH1A1CYP3A4MAPTLMNAMEN1
SCHEMBL1291755 0.70 ALDH1A1 (0.53) ALDH1A1CYP3A4MAPTLMNANPC1
SCHEMBL17135782 0.70 KMT2A (0.46) ALDH1A1CYP3A4MAPTLMNAHPGD
SCHEMBL12478198 0.70 GAA (0.43) ALDH1A1CYP3A4TP53TDP1TSHR
SCHEMBL9069658 0.69 ALDH1A1 (0.56) ALDH1A1CYP3A4MAPTLMNAMEN1
SCHEMBL1192850 0.69 ALDH1A1 (0.71) ALDH1A1CYP3A4MAPTLMNANPC1
SCHEMBL29596496 0.69 ALDH1A1 (0.71) ALDH1A1CYP3A4MAPTLMNANPC1
SCHEMBL838256 0.69 ALDH1A1 (0.71) ALDH1A1CYP3A4MAPTLMNAMEN1
SCHEMBL30458055 0.69 ALDH1A1 (0.60) ALDH1A1CYP3A4MAPTLMNAMEN1
SCHEMBL1193334 0.69 ALDH1A1 (0.60) ALDH1A1CYP3A4MAPTLMNAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2888005-B1 NOVEL AZABENZIMIDAZOLE HEXAHYDROFURO[3,2-B]FURAN DERIVATIVES MERCK SHARP & DOHME (US) 2019-04-03 — — EP disclosed
US-9290517-B2 Azabenzimidazole hexahydrofuro[3,2-b]furan derivatives MERCK SHARP & DOHME CORP. (US) 2016-03-22 — — US disclosed
US-20150284411-A1 NOVEL AZABENZIMIDAZOLE HEXAHYDROFURO[E,2-B]FURAN DERIVATIVES MERCK SHARP & DOHME LLC 2015-10-08 — — US disclosed
EP-2888005-A1 NOVEL AZABENZIMIDAZOLE HEXAHYDROFURO[3,2-B]FURAN DERIVATIVES Merck Sharp & Dohme Corp. (US) 2015-07-01 — — EP disclosed
WO-2014031515-A1 NOVEL AZABENZIMIDAZOLE HEXAHYDROFURO[3,2-B]FURAN DERIVATIVES MERCK SHARP & DOHME CORP. (US) 2014-02-27 — — 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-20150284411-A1 NOVEL AZABENZIMIDAZOLE HEXAHYDROFURO[E,2-B]FURAN DERIVATIVES PRKAG2, PRKAB2, PRKAG1 ALDH1A1 1088/4885CYP3A4 1343/4885MAPT 4476/4885

“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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