SCHEMBL16276201

SCHEMBL16276201

O=C(Nc1nc2ccccc2s1)c1ccc(N(Cc2ccccc2)C(=O)[C@H]2O[C@@H]2C(=O)Nc2ccc(Cl)c(Cl)c2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.47
▸ GAA P10253 1/20 0.47
▸ NPC1 O15118 5/20 0.46
▸ RAB9A P51151 5/20 0.46
▸ MEN1 O00255 5/20 0.46
▸ KMT2A Q03164 5/20 0.46
▸ SMN1; SMN2 Q16637 4/20 0.46
▸ SCD O00767 5/20 0.45
▸ KDM4E B2RXH2 3/20 0.43
▸ NFKB1 P19838 2/20 0.43
▸ NFKB2 Q00653 2/20 0.43
▸ RELA Q04206 2/20 0.43
▸ HTT P42858 1/20 0.43
▸ DHODH Q02127 1/20 0.42
▸ EPHX2 P34913 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ TOP1 P11387 2/20 0.42
▸ CASP3 P42574 2/20 0.41
▸ SENP8 Q96LD8 2/20 0.41
▸ SENP7 Q9BQF6 2/20 0.41

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
SCHEMBL17708494 0.94 NPC1 (0.51) MAPTGAANPC1RAB9AMEN1
SCHEMBL19597254 0.87 KDM4E (0.56) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL16276109 0.87 KDM4E (0.56) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL16276192 0.86 NPC1 (0.57) MAPTGAANPC1RAB9AMEN1
SCHEMBL16276348 0.85 NPC1 (0.53) MAPTGAANPC1RAB9AMEN1
SCHEMBL17667164 0.85 NPC1 (0.56) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL19579691 0.85 NPC1 (0.56) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL16276105 0.85 NPC1 (0.51) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL16276155 0.85 NPC1 (0.52) MAPTGAANPC1RAB9AMEN1
SCHEMBL16276196 0.84 NPC1 (0.53) NPC1RAB9AMEN1KMT2ASMN1; SMN2

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-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
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 MAPT 1592/4885GAA 3093/4885NPC1 697/4885

“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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