Sugi Predict

Sugi Predict / Compounds / SCHEMBL743556

SCHEMBL743556

SCHEMBL743556

O=C(O)c1cc(CC(O)CO)ccn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.47
▸ ALDH1A1 P00352 3/20 0.47
▸ KDM6B O15054 1/20 0.47
▸ TET3 O43151 1/20 0.47
▸ KDM4A O75164 1/20 0.47
▸ BBOX1 O75936 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ KDM5A P29375 1/20 0.47
▸ KDM5C P41229 1/20 0.47
▸ ASPH Q12797 1/20 0.47
▸ KDM4D Q6B0I6 1/20 0.47
▸ TET2 Q6N021 1/20 0.47
▸ ALKBH5 Q6P6C2 1/20 0.47
▸ KDM7A Q6ZMT4 1/20 0.47
▸ KDM8 Q8N371 1/20 0.47
▸ TET1 Q8NFU7 1/20 0.47
▸ EGLN2 Q96KS0 1/20 0.47
▸ FTO Q9C0B1 1/20 0.47
▸ EGLN1 Q9GZT9 1/20 0.47
▸ KDM4C Q9H3R0 1/20 0.47

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
SCHEMBL5513433 0.80 KDM4E (0.50) KDM4EALDH1A1KDM6BTET3KDM4A
SCHEMBL744204 0.80 GABRA1 (0.43) KDM4EALDH1A1MAPTSMN1; SMN2LMNA
SCHEMBL30112054 0.79 KDM4E (0.57) KDM4EALDH1A1KDM6BTET3KDM4A
SCHEMBL743017 0.79 KDM4E (0.57) KDM4EALDH1A1KDM6BTET3KDM4A
Hydrochloric Acid SCHEMBL6218632 0.78 KDM4E (0.55) KDM4EALDH1A1KDM6BTET3KDM4A
SCHEMBL15562032 0.77 HSD17B10 (0.55) KDM4EALDH1A1KDM6BTET3KDM4A
SCHEMBL15562033 0.77 HSD17B10 (0.55) KDM4EALDH1A1KDM6BTET3KDM4A
SCHEMBL12235270 0.76 KDM4E (0.53) KDM4EALDH1A1KDM6BTET3KDM4A
SCHEMBL25379918 0.74 KDM4E (0.55) KDM4EALDH1A1KDM6BTET3KDM4A
SCHEMBL221963 0.74 ALDH1A1 (0.55) KDM4EALDH1A1KDM6BTET3KDM4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8765739-B2 Azetidine compound and pharmaceutical use thereof JAPAN TOBACCO INC. (JP) 2014-07-01 — — US disclosed
US-8765739-B2 Azetidine compound and pharmaceutical use thereof JAPAN TOBACCO INC. (JP) 2014-07-01 — — US disclosed
EP-2431365-A1 AZETIDINE COMPOUND AND MEDICINAL USE THEREOF Japan Tobacco, Inc. (JP) 2012-03-21 — — EP disclosed
EP-2431365-A1 AZETIDINE COMPOUND AND MEDICINAL USE THEREOF Japan Tobacco, Inc. (JP) 2012-03-21 — — EP disclosed
US-20100331301-A1 AZETIDINE COMPOUND AND PHARMACEUTICAL USE THEREOF JAPAN TOBACCO INC. (JP) 2010-12-30 — — US disclosed
US-20100331301-A1 AZETIDINE COMPOUND AND PHARMACEUTICAL USE THEREOF JAPAN TOBACCO INC. (JP) 2010-12-30 — — US disclosed
US-20100331301-A1 AZETIDINE COMPOUND AND PHARMACEUTICAL USE THEREOF JAPAN TOBACCO INC. (JP) 2010-12-30 — — US disclosed
WO-2010131738-A1 AZETIDINE COMPOUND AND MEDICINAL USE THEREOF 日本たばこ産業株式会社 (JP) 2010-11-18 — — 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-20100331301-A1 AZETIDINE COMPOUND AND PHARMACEUTICAL USE THEREOF CYP2C19, CYP2C9, QDPR KDM4E 1427/4885ALDH1A1 349/4885KDM6B 1393/4885

“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.