SCHEMBL23580792

SCHEMBL23580792

Cc1nc2c(-c3ccccc3)cc([N+](=O)[O-])cc2n1CCO

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.44
▸ POLB P06746 2/20 0.44
▸ ATM Q13315 1/20 0.44
▸ DCTPP1 Q9H773 4/20 0.44
▸ DHODH Q02127 1/20 0.44
▸ LMNA P02545 4/20 0.43
▸ KMT2A Q03164 3/20 0.43
▸ L3MBTL1 Q9Y468 2/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ RAB9A P51151 2/20 0.43
▸ AHR P35869 1/20 0.43
▸ CASP6 P55212 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ ALDH1A1 P00352 3/20 0.41
▸ F2R P25116 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ F2RL3 Q96RI0 1/20 0.41
▸ TSHR P16473 2/20 0.40
▸ THRB P10828 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) MAPTATMDCTPP1LMNAKMT2A
SCHEMBL23580402 0.81 ALDH1A1 (0.47) MAPTPOLBATMDCTPP1LMNA
SCHEMBL23608127 0.79 DHODH (0.46) DHODHKMT2AL3MBTL1MEN1TSHR
SCHEMBL23580790 0.74 CFTR (0.48) MAPTDCTPP1LMNACASP6ALDH1A1
SCHEMBL23579734 0.74 AR (0.47) DCTPP1LMNAALDH1A1ARCFTR
SCHEMBL23579863 0.73 DPP4 (0.45) MAPTPOLBLMNAKMT2AL3MBTL1
SCHEMBL23579897 0.71 DCTPP1 (0.61) MAPTPOLBATMDCTPP1KMT2A
SCHEMBL15910675 0.70 MAPT (0.49) MAPTPOLBLMNAKMT2AL3MBTL1
SCHEMBL3281052 0.70 MAPT (0.61) MAPTPOLBLMNAKMT2AL3MBTL1
SCHEMBL23579989 0.70 BUB1 (0.37) MAPTPOLBDCTPP1LMNAKMT2A

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 MAPT 462/4885POLB 556/4885ATM 2491/4885
US-11339150-B2 Benzimidazole compounds as HDAC6 inhibitors HDAC6, HDAC1, HDAC11 MAPT 462/4885POLB 556/4885ATM 2491/4885

“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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