SCHEMBL17708323

SCHEMBL17708323

O=C(Nc1cccc(Cl)c1Cl)[C@H]1O[C@@H]1C(=O)N(Cc1ccccc1)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.45
▸ MEN1 O00255 6/20 0.42
▸ KMT2A Q03164 6/20 0.42
▸ LMNA P02545 3/20 0.41
▸ MAPT P10636 3/20 0.41
▸ ALDH1A1 P00352 4/20 0.41
▸ NPC1 O15118 2/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ HTT P42858 2/20 0.40
▸ GLA P06280 1/20 0.40
▸ PAX8 Q06710 1/20 0.40
▸ UBE2M P61081 1/20 0.40
▸ DCUN1D1 Q96GG9 1/20 0.40
▸ TP53 P04637 1/20 0.40
▸ RXFP1 Q9HBX9 1/20 0.40
▸ PKM P14618 2/20 0.39
▸ HPGD P15428 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL19597372 1.00 TSHR (0.45) TSHRMEN1KMT2ALMNAMAPT
SCHEMBL19597244 0.92 ALDH1A1 (0.44) TSHRMEN1KMT2AALDH1A1NPC1
SCHEMBL17708325 0.92 ALDH1A1 (0.44) TSHRMEN1KMT2AALDH1A1NPC1
SCHEMBL16276299 0.89 MAPT (0.45) MEN1KMT2AMAPTALDH1A1NPC1
SCHEMBL16276133 0.83 SMN1; SMN2 (0.46) MEN1KMT2AALDH1A1NPC1RAB9A
SCHEMBL16276151 0.83 ALDH1A1 (0.44) MEN1KMT2ALMNAMAPTALDH1A1
SCHEMBL16276132 0.81 THRB (0.46) LMNAMAPTALDH1A1NPC1RAB9A
SCHEMBL16276130 0.80 ALDH1A1 (0.47) MEN1KMT2ALMNAALDH1A1NPC1
SCHEMBL16276131 0.80 F13A1 (0.57) MEN1KMT2ALMNAMAPTALDH1A1
SCHEMBL17676842 0.79 ALDH1A1 (0.42) MEN1KMT2AALDH1A1NPC1RAB9A

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 4 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-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

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 TSHR 4877/4885MEN1 2462/4885KMT2A 3946/4885

“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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