SCHEMBL4296902

SCHEMBL4296902

O=[N+]([O-])c1cc(-c2ccccc2)c2ncn(Cc3ccccc3)c2c1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 4/20 0.59
▸ KMT2A Q03164 4/20 0.59
▸ ALDH1A1 P00352 2/20 0.59
▸ CYP1A2 P05177 1/20 0.59
▸ POLB P06746 1/20 0.59
▸ CYP2C9 P11712 1/20 0.59
▸ HPGD P15428 1/20 0.59
▸ CYP2C19 P33261 1/20 0.59
▸ SMN1; SMN2 Q16637 1/20 0.59
▸ ADORA2A P29274 1/20 0.50
▸ NR1I2 O75469 2/20 0.48
▸ SLC29A1 Q99808 2/20 0.47
▸ PKM P14618 1/20 0.46
▸ LMNA P02545 2/20 0.46
▸ EGLN3 Q9H6Z9 1/20 0.46
▸ AR P10275 1/20 0.44
▸ CYP11B1 P15538 3/20 0.43
▸ CYP11B2 P19099 3/20 0.43
▸ TNF P01375 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
SCHEMBL23579611 0.85 MEN1 (0.59) MEN1KMT2AALDH1A1CYP1A2POLB
SCHEMBL23579932 0.84 MEN1 (0.42) MEN1KMT2AALDH1A1CYP1A2POLB
SCHEMBL23579863 0.81 DPP4 (0.45) MEN1KMT2AALDH1A1CYP1A2POLB
SCHEMBL3922194 0.79 LMNA (0.56) MEN1KMT2AALDH1A1CYP1A2POLB
SCHEMBL7029418 0.78 PKM (0.62) MEN1KMT2AALDH1A1CYP1A2POLB
SCHEMBL23579898 0.77 DCTPP1 (0.60) MEN1KMT2AALDH1A1HPGDLMNA
SCHEMBL23580790 0.77 CFTR (0.48) ALDH1A1HPGDLMNAAR
SCHEMBL3922575 0.76 LMNA (0.50) MEN1KMT2AALDH1A1CYP1A2POLB
SCHEMBL24444297 0.76 EGLN3 (0.46) MEN1KMT2AALDH1A1CYP1A2POLB
SCHEMBL4748504 0.75 PKM (0.77) MEN1KMT2AALDH1A1CYP1A2POLB

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 7 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
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 MEN1 3567/4885KMT2A 244/4885ALDH1A1 285/4885
US-11339150-B2 Benzimidazole compounds as HDAC6 inhibitors HDAC6, HDAC1, HDAC11 MEN1 3567/4885KMT2A 244/4885ALDH1A1 285/4885
US-20060247263-A1 Substituted heterocyclic compounds and methods of use MAPT, IAPP, MYLK2 MEN1 229/4885KMT2A 1302/4885ALDH1A1 2737/4885

“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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