SCHEMBL23579989

SCHEMBL23579989

CC(C)(C)[Si](C)(C)OCCn1c(C(F)(F)F)nc2c(-c3ccccc3)cc([N+](=O)[O-])cc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BUB1 O43683 1/20 0.37
▸ CYP19A1 P11511 1/20 0.35
▸ MEN1 O00255 3/20 0.35
▸ KMT2A Q03164 3/20 0.35
▸ RAB9A P51151 2/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ PAX8 Q06710 1/20 0.35
▸ FNTA P49354 6/20 0.33
▸ FNTB P49356 6/20 0.33
▸ MET P08581 1/20 0.33
▸ DCTPP1 Q9H773 1/20 0.33
▸ CFTR P13569 1/20 0.32
▸ LTB4R Q15722 1/20 0.32
▸ LMNA P02545 2/20 0.32
▸ L3MBTL1 Q9Y468 2/20 0.32
▸ POLB P06746 1/20 0.32
▸ AHR P35869 1/20 0.32
▸ CASP6 P55212 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ MAPT P10636 1/20 0.32

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
SCHEMBL23580045 0.85 NQO2 (0.33) BUB1DCTPP1
SCHEMBL23579780 0.84 BUB1 (0.35) BUB1METMAPT
SCHEMBL23580792 0.70 MAPT (0.44) CYP19A1MEN1KMT2ARAB9ANPC1
SCHEMBL23579898 0.68 DCTPP1 (0.60) MEN1KMT2ARAB9ADCTPP1CFTR
SCHEMBL4511606 0.66 HTR7 (0.51) CYP19A1POLBMAPT
SCHEMBL23580790 0.66 CFTR (0.48) DCTPP1CFTRLMNACASP6MAPT
SCHEMBL23579734 0.66 AR (0.47) DCTPP1CFTRLMNA
SCHEMBL23579863 0.64 DPP4 (0.45) CYP19A1MEN1KMT2AFNTAFNTB
SCHEMBL23579932 0.64 MEN1 (0.42) MEN1KMT2ARAB9ANPC1PAX8
SCHEMBL16931512 0.63 GLS (0.61) CYP19A1MEN1KMT2ANPC1LMNA

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 BUB1 1360/4885CYP19A1 1916/4885MEN1 3567/4885
US-11339150-B2 Benzimidazole compounds as HDAC6 inhibitors HDAC6, HDAC1, HDAC11 BUB1 1360/4885CYP19A1 1916/4885MEN1 3567/4885

“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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