SCHEMBL23580758

SCHEMBL23580758

CN(C)c1nc2c(-c3ccccc3)cc(N)cc2[nH]1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RPS6KA3 P51812 1/20 0.49
▸ MAPT P10636 5/20 0.39
▸ ALDH1A1 P00352 4/20 0.39
▸ KDM4E B2RXH2 3/20 0.39
▸ HPGD P15428 3/20 0.39
▸ GAA P10253 3/20 0.39
▸ SMN1; SMN2 Q16637 3/20 0.39
▸ GFER P55789 2/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ GLA P06280 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ RCE1 Q9Y256 1/20 0.39
▸ ADORA2A P29274 2/20 0.35
▸ ADORA3 P0DMS8 1/20 0.35
▸ ADORA1 P30542 1/20 0.35
▸ MEN1 O00255 3/20 0.35
▸ KMT2A Q03164 3/20 0.35
▸ HSD17B10 Q99714 2/20 0.35
▸ BLM P54132 2/20 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
SCHEMBL23579760 0.80 RPS6KA3 (0.46) RPS6KA3MAPTALDH1A1KDM4EHPGD
SCHEMBL29384650 0.74 KDM4E (0.49) RPS6KA3MAPTALDH1A1KDM4EHPGD
SCHEMBL28476285 0.69 KDM4E (0.39) MAPTALDH1A1KDM4EHPGDGAA
SCHEMBL7090036 0.68 DPP4 (0.51) RPS6KA3MAPTALDH1A1KDM4EHPGD
SCHEMBL7484714 0.67 MAPT (0.50) MAPTALDH1A1KDM4EHPGDGAA
SCHEMBL1663444 0.67 MEN1 (0.54) MAPTALDH1A1KDM4EHPGDGAA
SCHEMBL16878793 0.66 MYC (0.42) MAPTALDH1A1KDM4EGAARAB9A
SCHEMBL28476286 0.65 KDM4E (0.43) MAPTALDH1A1KDM4EHPGDGAA
SCHEMBL1663440 0.64 MAPKAPK2 (0.45) RPS6KA3MAPTALDH1A1KDM4EHPGD
SCHEMBL29449836 0.64 KDM1A (0.39) MAPTALDH1A1KDM4EHPGDGAA

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
US-11339150-B2 Benzimidazole compounds as HDAC6 inhibitors ONKURE, INC. (US) 2022-05-24 — — US disclosed
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
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 RPS6KA3 1308/4885MAPT 462/4885ALDH1A1 285/4885
US-11339150-B2 Benzimidazole compounds as HDAC6 inhibitors HDAC6, HDAC1, HDAC11 RPS6KA3 1308/4885MAPT 462/4885ALDH1A1 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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