SCHEMBL23580790

SCHEMBL23580790

O=[N+]([O-])c1cc(-c2ccccc2)c2nc(Br)n(Cc3ccccc3)c2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CFTR P13569 7/20 0.48
▸ AR P10275 1/20 0.47
▸ MAPT P10636 1/20 0.44
▸ DCTPP1 Q9H773 1/20 0.44
▸ ALOX5 P09917 2/20 0.44
▸ PTGS2 P35354 2/20 0.44
▸ ALOX15 P16050 1/20 0.44
▸ PGR P06401 2/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ CASP1 P29466 1/20 0.40
▸ CASP3 P42574 1/20 0.40
▸ CASP4 P49662 1/20 0.40
▸ CASP7 P55210 1/20 0.40
▸ CASP9 P55211 1/20 0.40
▸ CASP6 P55212 1/20 0.40
▸ CASP8 Q14790 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
SCHEMBL23579898 0.86 DCTPP1 (0.60) CFTRARMAPTDCTPP1KDM4E
SCHEMBL23579734 0.83 AR (0.47) CFTRARDCTPP1ALOX5PTGS2
SCHEMBL4296902 0.77 MEN1 (0.59) ARALDH1A1LMNAHPGD
SCHEMBL23579897 0.75 DCTPP1 (0.61) MAPTDCTPP1GAA
SCHEMBL23580792 0.74 MAPT (0.44) CFTRARMAPTDCTPP1ALDH1A1
SCHEMBL23579611 0.70 MEN1 (0.59) ALDH1A1LMNAHPGD
SCHEMBL23579863 0.68 DPP4 (0.45) MAPTPTGS2ALDH1A1LMNAHPGD
SCHEMBL3281052 0.68 MAPT (0.61) MAPTPTGS2KDM4EALDH1A1LMNA
SCHEMBL15567162 0.66 CFTR (0.74) CFTRMAPTKDM4EALDH1A1LMNA
SCHEMBL29412012 0.66 CFTR (0.74) CFTRMAPTKDM4EALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11339150-B2 Benzimidazole compounds as HDAC6 inhibitors ONKURE, INC. (US) 2022-05-24 — — US disclosed
US-20220041584-A1 BENZIMIDAZOLE COMPOUNDS AS HDAC6 INHIBITORS ONKURE, INC. (US) 2022-02-10 — — US disclosed
WO-2021133957-A1 BENZIMIDAZOLE COMPOUNDS AS HDAC6 INHIBITORS ONKURE, INC. (US) 2021-07-01 — — 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 (2 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-20220041584-A1 BENZIMIDAZOLE COMPOUNDS AS HDAC6 INHIBITORS HDAC6, HDAC1, HDAC11 CFTR 1086/4885AR 2542/4885MAPT 462/4885
US-11339150-B2 Benzimidazole compounds as HDAC6 inhibitors HDAC6, HDAC1, HDAC11 CFTR 1086/4885AR 2542/4885MAPT 462/4885

“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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