SCHEMBL23579863

SCHEMBL23579863

Cn1cnc2c(-c3ccccc3)cc([N+](=O)[O-])cc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 1/20 0.45
▸ L3MBTL1 Q9Y468 2/20 0.43
▸ PTGS2 P35354 2/20 0.42
▸ CYP19A1 P11511 1/20 0.42
▸ FGFR1 P11362 1/20 0.42
▸ LMNA P02545 3/20 0.41
▸ TOP1 P11387 1/20 0.41
▸ PTGDR2 Q9Y5Y4 1/20 0.40
▸ FNTA P49354 4/20 0.40
▸ FNTB P49356 4/20 0.40
▸ ALDH1A1 P00352 4/20 0.40
▸ MAPT P10636 2/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ HPGD P15428 2/20 0.40
▸ F2R P25116 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ F2RL3 Q96RI0 1/20 0.40
▸ HTT P42858 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
SCHEMBL25286239 0.82 ALDH1A1 (0.44) L3MBTL1PTGS2ALDH1A1MAPTMEN1
SCHEMBL31135880 0.82 ALDH1A1 (0.44) L3MBTL1PTGS2ALDH1A1MAPTMEN1
SCHEMBL4296902 0.81 MEN1 (0.59) LMNAALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL23579932 0.78 MEN1 (0.42) FGFR1TOP1PTGDR2ALDH1A1MAPT
SCHEMBL23579618 0.76 NQO2 (0.43) L3MBTL1LMNAALDH1A1MAPTSMN1; SMN2
SCHEMBL23579933 0.76 DPP4 (0.54) DPP4KMT2ACYP1A2
SCHEMBL3924776 0.73 DPP4 (0.48) DPP4MEN1KMT2A
SCHEMBL3281052 0.73 MAPT (0.61) L3MBTL1PTGS2LMNATOP1PTGDR2
SCHEMBL15910675 0.73 MAPT (0.49) L3MBTL1PTGS2CYP19A1LMNATOP1
SCHEMBL23580792 0.73 MAPT (0.44) L3MBTL1CYP19A1LMNAPTGDR2ALDH1A1

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 DPP4 3147/4885L3MBTL1 463/4885PTGS2 3763/4885
US-11339150-B2 Benzimidazole compounds as HDAC6 inhibitors HDAC6, HDAC1, HDAC11 DPP4 3147/4885L3MBTL1 463/4885PTGS2 3763/4885

“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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