SCHEMBL16276109

SCHEMBL16276109

COc1ccc(NC(=O)[C@H]2O[C@@H]2C(=O)N(Cc2ccccc2)c2ccc(C(=O)Nc3nc4ccccc4s3)cc2)cc1OC

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.56
▸ HTT P42858 2/20 0.56
▸ L3MBTL1 Q9Y468 2/20 0.56
▸ SCD O00767 7/20 0.47
▸ NPC1 O15118 5/20 0.47
▸ MEN1 O00255 4/20 0.47
▸ KMT2A Q03164 4/20 0.47
▸ RAB9A P51151 4/20 0.47
▸ MAPT P10636 4/20 0.47
▸ ALDH1A1 P00352 3/20 0.47
▸ HPGD P15428 1/20 0.47
▸ SMN1; SMN2 Q16637 3/20 0.46
▸ LMNA P02545 2/20 0.46
▸ CASP3 P42574 1/20 0.45
▸ SENP8 Q96LD8 1/20 0.45
▸ SENP7 Q9BQF6 1/20 0.45
▸ SENP6 Q9GZR1 1/20 0.45
▸ NTRK1 P04629 1/20 0.45
▸ DHODH Q02127 1/20 0.43
▸ PKM P14618 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
SCHEMBL19597254 1.00 KDM4E (0.56) KDM4EHTTL3MBTL1SCDNPC1
SCHEMBL17708488 0.94 KDM4E (0.53) KDM4EHTTL3MBTL1SCDNPC1
SCHEMBL16276201 0.87 MAPT (0.47) KDM4EHTTSCDNPC1MEN1
SCHEMBL16276371 0.85 NPC1 (0.51) KDM4EHTTL3MBTL1SCDNPC1
SCHEMBL16276301 0.85 NPC1 (0.55) KDM4EHTTL3MBTL1SCDNPC1
SCHEMBL16276192 0.84 NPC1 (0.57) KDM4EHTTSCDNPC1MEN1
SCHEMBL16276200 0.84 NPC1 (0.52) KDM4EHTTL3MBTL1SCDNPC1
SCHEMBL17667164 0.83 NPC1 (0.56) KDM4EHTTL3MBTL1SCDNPC1
SCHEMBL19579691 0.83 NPC1 (0.56) KDM4EHTTL3MBTL1SCDNPC1
SCHEMBL16276118 0.83 NPC1 (0.47) L3MBTL1NPC1MEN1KMT2ARAB9A

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3006432-B1 2,3-BUTANEDIAMIDE EPOXIDE COMPOUND AND PREPARATION METHOD AND USE THEREOF INST PHARMACOLOGY & TOXICOLOGY ACAD MILITARY MEDICAL SCIENCES PLA CHINA (CN) 2017-11-15 — — EP disclosed
US-9630957-B2 2,3-butanediamide epoxide compound and preparation method and use thereof INSTITUTE OF PHARMACOLOGY AND TOXICOLOGY ACADEMY OF MILITARY MEDICAL SCIENCES P.L.A. CHINA (CN) 2017-04-25 — — US disclosed
US-20160115160-A1 2, 3-Butanediamide Epoxide Compound and Preparation Method and Use Thereof INSTITUTE OF PHARMACOLOGY AND TOXICOLOGY ACADEMY OF MILITARY MEDICAL SCIENCES P.L.A. CHINA (CN) 2016-04-28 — — US disclosed
EP-3006432-A1 2,3-BUTANEDIAMIDE EPOXIDE COMPOUND AND PREPARATION METHOD AND USE THEREOF Institute of Pharmacology and Toxicology Academy of Military Medical Sciences P.L.A. China (CN) 2016-04-13 — — EP disclosed
WO-2014190899-A1 2,3-BUTANEDIAMIDE EPOXIDE COMPOUND AND PREPARATION METHOD AND USE THEREOF 中国人民解放军军事医学科学院毒物药物研究所 (CN) 2014-12-04 — — 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 (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-20160115160-A1 2, 3-Butanediamide Epoxide Compound and Preparation Method and Use Thereof ECE2, GNE, EPHX2 KDM4E 883/4885HTT 4644/4885L3MBTL1 3431/4885

“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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