SCHEMBL23579932

SCHEMBL23579932

O=[N+]([O-])c1cc(-c2ccccc2)c2ncn(CC(F)(F)F)c2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.42
▸ KMT2A Q03164 3/20 0.42
▸ ALDH1A1 P00352 3/20 0.42
▸ CYP1A2 P05177 2/20 0.42
▸ POLB P06746 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ CYP17A1 P05093 4/20 0.40
▸ PKM P14618 1/20 0.39
▸ SLC29A1 Q99808 3/20 0.39
▸ PTGDR2 Q9Y5Y4 1/20 0.39
▸ FGFR1 P11362 1/20 0.38
▸ MAPT P10636 1/20 0.37
▸ TOP1 P11387 1/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ PAX8 Q06710 1/20 0.37
▸ ADORA2A P29274 1/20 0.37

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
SCHEMBL4296902 0.84 MEN1 (0.59) MEN1KMT2AALDH1A1CYP1A2POLB
SCHEMBL23579743 0.79 NQO2 (0.38) MEN1KMT2AALDH1A1CYP1A2POLB
SCHEMBL23579642 0.79 CYP17A1 (0.49) CYP1A2CYP17A1PTGDR2ADORA2ACNR1
SCHEMBL23579863 0.78 DPP4 (0.45) MEN1KMT2AALDH1A1CYP1A2POLB
SCHEMBL30896824 0.71 PKM (0.60) KMT2AALDH1A1POLBHPGDSMN1; SMN2
SCHEMBL23579611 0.70 MEN1 (0.59) MEN1KMT2AALDH1A1CYP1A2POLB
SCHEMBL31135880 0.69 ALDH1A1 (0.44) MEN1KMT2AALDH1A1MAPT
SCHEMBL25286239 0.69 ALDH1A1 (0.44) MEN1KMT2AALDH1A1MAPT
SCHEMBL23607244 0.68 CYP17A1 (0.39) CYP1A2CYP17A1
SCHEMBL3281052 0.68 MAPT (0.61) MEN1KMT2AALDH1A1CYP1A2POLB

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 MEN1 3567/4885KMT2A 244/4885ALDH1A1 285/4885
US-11339150-B2 Benzimidazole compounds as HDAC6 inhibitors HDAC6, HDAC1, HDAC11 MEN1 3567/4885KMT2A 244/4885ALDH1A1 285/4885

“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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