SCHEMBL2169031

SCHEMBL2169031

O=C(NNC1CCCCC1)OCc1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.67
EPHX1 P07099 4/20 0.66
MEN1 O00255 2/20 0.64
KMT2A Q03164 2/20 0.64
GAA P10253 1/20 0.57
TSHR P16473 1/20 0.55
EPHX2 P34913 1/20 0.54
CA12 O43570 1/20 0.54
CA1 P00915 1/20 0.54
CA2 P00918 1/20 0.54
CA9 Q16790 1/20 0.54
SGMS2 Q8NHU3 1/20 0.52
HPGD P15428 1/20 0.50
TAAR1 Q96RJ0 1/20 0.50
CTSL P07711 1/20 0.49
CTSB P07858 1/20 0.49
CTSK P43235 1/20 0.49

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
SCHEMBL2170012 1.00 ALDH1A1 (0.67) ALDH1A1EPHX1MEN1KMT2AGAA
SCHEMBL2168813 1.00 ALDH1A1 (0.67) ALDH1A1EPHX1MEN1KMT2AGAA
SCHEMBL21843301 0.98 ALDH1A1 (0.64) ALDH1A1EPHX1MEN1KMT2AGAA
SCHEMBL1424064 0.88 EPHX1 (0.84) ALDH1A1EPHX1MEN1KMT2AGAA
SCHEMBL8393719 0.88 EPHX1 (0.84) ALDH1A1EPHX1MEN1KMT2AGAA
Bicarbonate SCHEMBL6203780 0.86 EPHX1 (0.82) ALDH1A1EPHX1MEN1KMT2AGAA
SCHEMBL28876111 0.86 ALDH1A1 (0.55) ALDH1A1EPHX1MEN1KMT2AGAA
SCHEMBL27955816 0.86 ALDH1A1 (0.52) ALDH1A1EPHX1MEN1KMT2AGAA
SCHEMBL7198149 0.86 EPHX1 (0.81) ALDH1A1EPHX1MEN1KMT2AGAA
Hydrochloric Acid SCHEMBL27955834 0.85 ALDH1A1 (0.51) ALDH1A1EPHX1MEN1KMT2AGAA

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
CN-116354897-B Substituted 1,2, 4-triazole, pyridine and pyrimidine derivatives and application thereof in medicines 华东师范大学 2024-10-15 CN disclosed
CN-116354897-A Substituted 1,2, 4-triazole, pyridine and pyrimidine derivatives and application thereof in medicines 华东师范大学 2023-06-30 CN disclosed
US-8252781-B2 1,2-diazetidin-3-one derivatives and drugs containing same KOWA COMPANY, LTD. (JP) 2012-08-28 US disclosed
EP-2348019-A1 1,2-DIAZETIDIN-3-ONE DERIVATIVE AND PHARMACEUTICAL AGENT COMPRISING SAME Kowa Company, Ltd. (JP) 2011-07-27 EP disclosed
US-20100144694-A1 1,2-DIAZETIDIN-3-ONE DERIVATIVES AND DRUGS CONTAINING SAME KOWA COMPANY, LTD. (JP) 2010-06-10 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-20100144694-A1 1,2-DIAZETIDIN-3-ONE DERIVATIVES AND DRUGS CONTAINING SAME HSD11B1, HSD11B2, HSD3B1 ALDH1A1 157/4885EPHX1 1188/4885MEN1 490/4885

“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.