SCHEMBL25058882

SCHEMBL25058882

COC(=O)c1ccc(CN2CCc3ccc(OC)cc3CC2)cc1

nearest known ligand 0.79

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 4/20 0.79
▸ HDAC6 Q9UBN7 4/20 0.79
▸ LMNA P02545 1/20 0.55
▸ TNF P01375 1/20 0.54
▸ NOD2 Q9HC29 1/20 0.54
▸ NOD1 Q9Y239 1/20 0.54
▸ ACACB O00763 1/20 0.54
▸ CHKA P35790 1/20 0.54
▸ KDM4E B2RXH2 1/20 0.50
▸ OPRM1 P35372 1/20 0.49
▸ OPRD1 P41143 1/20 0.49
▸ OPRK1 P41145 1/20 0.49
▸ ABCC1 P33527 2/20 0.49
▸ HRH3 Q9Y5N1 1/20 0.49
▸ MAPK1 P28482 1/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ ABCB1 P08183 1/20 0.49
▸ ABCG2 Q9UNQ0 1/20 0.49

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
SCHEMBL25058864 0.88 HDAC1 (1.00) HDAC1HDAC6TNFNOD2NOD1
SCHEMBL20672151 0.86 TNF (0.64) HDAC1HDAC6LMNATNFNOD2
SCHEMBL26159155 0.84 HDAC1 (0.68) HDAC1HDAC6LMNATNFNOD2
SCHEMBL25058892 0.82 HDAC1 (0.66) HDAC1HDAC6ABCC1SMN1; SMN2ABCB1
SCHEMBL3148037 0.81 HDAC1 (0.65) HDAC1HDAC6LMNAABCC1SMN1; SMN2
SCHEMBL7846425 0.80 SIGMAR1 (0.65) HDAC1HDAC6HRH3
SCHEMBL16130131 0.79 CHKA (0.60) ACACBCHKAKDM4EMAPK1SMN1; SMN2
SCHEMBL3148683 0.78 HDAC1 (0.61) HDAC1HDAC6LMNAKDM4EABCC1
SCHEMBL1263320 0.78 ACACB (0.56) HDAC1HDAC6TNFNOD2NOD1
SCHEMBL15327056 0.78 RYR2 (0.56) —

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-20230159463-A1 BENZONITRIC HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF SHANGHAI ZHONGZE THERAPEUTICS, CO. LTD. (CN) 2023-05-25 — — US disclosed
US-20230159463-A1 BENZONITRIC HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF SHANGHAI ZHONGZE THERAPEUTICS, CO. LTD. (CN) 2023-05-25 — — US disclosed
EP-4137483-A1 BENZONITRIC HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF Shanghai Zhongze Therapeutics, Co. Ltd. (CN) 2023-02-22 — — EP 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 (1 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-20230159463-A1 BENZONITRIC HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF HDAC11, HDAC1, HDAC6 HDAC1 2/4885HDAC6 3/4885LMNA 2388/4885

“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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