SCHEMBL3922575

SCHEMBL3922575

CNc1cc(-c2ccccc2)c2ncn(Cc3ccccc3)c2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ EGLN3 Q9H6Z9 2/20 0.46
▸ YTHDC1 Q96MU7 1/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ POLB P06746 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ HPGD P15428 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ CYP11B1 P15538 3/20 0.44
▸ CYP11B2 P19099 3/20 0.44
▸ TNF P01375 1/20 0.44
▸ BRD4 O60885 1/20 0.44
▸ PDE4A P27815 1/20 0.43
▸ PDE4B Q07343 1/20 0.43
▸ PDE4C Q08493 1/20 0.43

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
SCHEMBL24444297 0.84 EGLN3 (0.46) LMNAL3MBTL1EGLN3MEN1ALDH1A1
SCHEMBL3922194 0.80 LMNA (0.56) LMNAL3MBTL1EGLN3MEN1ALDH1A1
SCHEMBL3924776 0.80 DPP4 (0.48) YTHDC1MEN1KMT2ABRD4
SCHEMBL23579969 0.78 CYP11B1 (0.42) LMNAL3MBTL1EGLN3YTHDC1CYP11B1
SCHEMBL4296902 0.76 MEN1 (0.59) LMNAEGLN3MEN1ALDH1A1CYP1A2
SCHEMBL3926834 0.68 LMNA (0.39) LMNAL3MBTL1EGLN3MEN1ALDH1A1
SCHEMBL23579646 0.67 DPP4 (0.44) MEN1ALDH1A1HPGDKMT2ASMN1; SMN2
SCHEMBL13508757 0.67 LMNA (1.00) LMNAL3MBTL1EGLN3MEN1ALDH1A1
SCHEMBL229001 0.66 LMNA (0.59) LMNAYTHDC1MEN1ALDH1A1CYP1A2
SCHEMBL20232995 0.65 L3MBTL1 (0.60) LMNAL3MBTL1MEN1ALDH1A1CYP1A2

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 9 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
EP-2041118-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AND METHODS OF USE Amgen, Inc (US) 2009-04-01 — — EP disclosed
WO-2007114827-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2007-10-11 — — WO disclosed
WO-2007114827-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2007-10-11 — — WO disclosed
US-20060247263-A1 Substituted heterocyclic compounds and methods of use AMGEN INC. (US) 2006-11-02 — — US 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 (3 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 LMNA 1225/4885L3MBTL1 463/4885EGLN3 1801/4885
US-11339150-B2 Benzimidazole compounds as HDAC6 inhibitors HDAC6, HDAC1, HDAC11 LMNA 1225/4885L3MBTL1 463/4885EGLN3 1801/4885
US-20060247263-A1 Substituted heterocyclic compounds and methods of use MAPT, IAPP, MYLK2 LMNA 3794/4885L3MBTL1 541/4885EGLN3 3756/4885

“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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