SCHEMBL6812644

SCHEMBL6812644

CNC(=O)CC(=O)C(C)C

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.39
MCL1 Q07820 1/20 0.39
SLC6A3 Q01959 1/20 0.31
ALDH1A1 P00352 3/20 0.31
KMT2A Q03164 1/20 0.31
MAPT P10636 1/20 0.30
BCHE P06276 1/20 0.30
ACHE P22303 1/20 0.30

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
SCHEMBL18349668 0.79 LMNA (0.46) LMNAMCL1ALDH1A1KMT2A
SCHEMBL29329059 0.79 ALDH1A1 (0.32) LMNAALDH1A1MAPT
SCHEMBL181668 0.78 CYP2D6 (0.36) ALDH1A1
SCHEMBL14595129 0.78 HDAC8 (0.42)
SCHEMBL8909886 0.76 MEN1 (0.45) LMNAALDH1A1KMT2A
SCHEMBL14595133 0.76 CTSD (0.44) LMNAALDH1A1MAPT
SCHEMBL6812643 0.76
SCHEMBL9282807 0.76 CYP2D6 (0.35) ALDH1A1
SCHEMBL28708081 0.76 CYP2D6 (0.35) ALDH1A1
SCHEMBL7142603 0.76 CYP2D6 (0.35) ALDH1A1

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 39 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10633371-B2 EZH2 inhibitors and uses thereof DANA-FARBER CANCER INSTITUTE, INC. (US) 2020-04-28 US disclosed
US-20200039968-A9 EZH2 INHIBITORS AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2020-02-06 US disclosed
US-20190135796-A1 EZH2 INHIBITORS AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2019-05-09 US disclosed
US-10017499-B2 Benzimidazole derivatives ENANTA PHARMACEUTICALS, INC. (US) 2018-07-10 US disclosed
US-10011600-B2 Methods and compositions for inhibition of Ras ARAXES PHARMA LLC (US) 2018-07-03 US disclosed
WO-2017184999-A1 EZH2 INHIBITORS AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2017-10-26 WO disclosed
US-20170247376-A1 METHODS AND COMPOSITIONS FOR INHIBITION OF RAS ARAXES PHARMA LLC (US) 2017-08-31 US disclosed
US-20170114046-A1 NOVEL BENZIMIDAZOLE DERIVATIVES ENANTA PHARM INC (US) 2017-04-27 US disclosed
US-8188132-B2 Linked dibenzimidazole derivatives ENANTA PHARMACEUTICALS, INC. (US) 2012-05-29 US disclosed
US-7989430-B2 Antibacterial agents REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2011-08-02 US disclosed
EP-0618222-A2 Dipeptid derivatives of 5-amino-4-hydroxy-hexanoic acid CIBA-GEIGY AG (CH) 1994-10-05 EP disclosed
EP-0604368-A1 Anti retroviral hydrazine derivatives CIBA-GEIGY AG (CH) 1994-06-29 EP disclosed
EP-0600831-A1 Phtalazinon derivatives CIBA-GEIGY AG (CH) 1994-06-08 EP disclosed
EP-0600830-A1 Substituted derivatives of diaminophthalimide as protein-tyrosine kinase inhibitors CIBA-GEIGY AG (CH) 1994-06-08 EP disclosed
EP-0600832-A1 Derivatives of diamino benzoic and diamino phthalic acid und their use as protein linase inhibitors CIBA-GEIGY AG (CH) 1994-06-08 EP disclosed
EP-0594540-A1 Antiretroviral acyl compounds CIBA-GEIGY AG (CH) 1994-04-27 EP disclosed
US-5292949-A Process for the preparation of acid anhydrides SAUREFABRIK SCHWEIZERHALL (CH) 1994-03-08 US disclosed
EP-0549531-A1 Process for preparing acid anhydrides Säurefabrik Schweizerhall (CH) 1993-06-30 EP disclosed
EP-0532466-A2 Derivatives of 5-amino-4-hydroxy-hexanoic acid and their therapeutical use CIBA-GEIGY AG (CH) 1993-03-17 EP disclosed
EP-0521827-A1 Pharmacological active hydrazin derivatives and process for their preparation CIBA-GEIGY AG (CH) 1993-01-07 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 (7 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-20170247376-A1 METHODS AND COMPOSITIONS FOR INHIBITION OF RAS KRAS, NRAS, HRAS LMNA 1339/4885MCL1 484/4885SLC6A3 4749/4885
US-20170114046-A1 NOVEL BENZIMIDAZOLE DERIVATIVES EIF2AK2, ZC3HAV1, HAVCR2 LMNA 3064/4885MCL1 1457/4885SLC6A3 3336/4885
US-20190135796-A1 EZH2 INHIBITORS AND USES THEREOF EZH2, EZH1, BMI1 LMNA 2342/4885MCL1 121/4885SLC6A3 4672/4885
US-20200039968-A9 EZH2 INHIBITORS AND USES THEREOF EZH2, EZH1, BMI1 LMNA 2342/4885MCL1 121/4885SLC6A3 4672/4885
US-10017499-B2 Benzimidazole derivatives EIF2AK2, ZC3HAV1, ZC3HAV1L LMNA 2786/4885MCL1 1529/4885SLC6A3 3321/4885
US-10633371-B2 EZH2 inhibitors and uses thereof EZH2, EZH1, BMI1 LMNA 2342/4885MCL1 121/4885SLC6A3 4672/4885
US-10011600-B2 Methods and compositions for inhibition of Ras KRAS, NRAS, HRAS LMNA 1339/4885MCL1 484/4885SLC6A3 4749/4885

“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.