SCHEMBL16276133

SCHEMBL16276133

O=C(Nc1ccccc1F)[C@H]1O[C@@H]1C(=O)N(Cc1ccccc1)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 6/20 0.46
▸ ALDH1A1 P00352 3/20 0.44
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ RAB9A P51151 5/20 0.43
▸ NPC1 O15118 4/20 0.43
▸ GLA P06280 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ PAX8 Q06710 1/20 0.40
▸ S1PR1 P21453 1/20 0.38
▸ S1PR3 Q99500 1/20 0.38
▸ CASP3 P42574 1/20 0.38
▸ TAAR1 Q96RJ0 1/20 0.38
▸ SENP7 Q9BQF6 1/20 0.38
▸ TRPM8 Q7Z2W7 1/20 0.37

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
SCHEMBL16276151 0.86 ALDH1A1 (0.44) SMN1; SMN2ALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL19597244 0.86 ALDH1A1 (0.44) SMN1; SMN2ALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL17708325 0.86 ALDH1A1 (0.44) SMN1; SMN2ALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL17708324 0.84 MAPT (0.46) SMN1; SMN2ALDH1A1MEN1KMT2ARAB9A
SCHEMBL19597372 0.83 TSHR (0.45) SMN1; SMN2ALDH1A1MEN1KMT2ARAB9A
SCHEMBL17708323 0.83 TSHR (0.45) SMN1; SMN2ALDH1A1MEN1KMT2ARAB9A
SCHEMBL16276299 0.81 MAPT (0.45) SMN1; SMN2ALDH1A1MEN1KMT2ARAB9A
SCHEMBL19597031 0.81 PTPRB (0.46) ALDH1A1MEN1KMT2ARAB9ANPC1
SCHEMBL16276103 0.81 PTPRB (0.46) ALDH1A1MEN1KMT2ARAB9ANPC1
SCHEMBL16276132 0.79 THRB (0.46) SMN1; SMN2ALDH1A1RAB9ANPC1GLA

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
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-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
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 SMN1; SMN2 2013/4885ALDH1A1 446/4885MEN1 2462/4885

“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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