SCHEMBL22111645

SCHEMBL22111645

O=C1CC(c2cnc(N3CCOCC3)nc2)CC(O)/C1=C\NCCN1CCN(CCO)CC1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ KDM4E B2RXH2 2/20 0.35
▸ TSHR P16473 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ HDAC6 Q9UBN7 2/20 0.34
▸ PIK3CA P42336 2/20 0.33
▸ MTOR P42345 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ MAP1LC3B Q9GZQ8 3/20 0.33
▸ CYP2C19 P33261 1/20 0.32
▸ HTR2A P28223 1/20 0.32
▸ DRD3 P35462 1/20 0.32
▸ PIK3CD O00329 1/20 0.32
▸ MET P08581 1/20 0.31

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
SCHEMBL21821819 0.86 ALDH1A1 (0.41) ALDH1A1KMT2AKDM4ETSHRMAPK1
SCHEMBL24379788 0.80 SLC18A3 (0.45) ALDH1A1KMT2ATSHRMAP1LC3BCYP2C19
SCHEMBL21821739 0.72 MAP1LC3B (0.41) ALDH1A1KMT2AKDM4ETSHRMAPK1
SCHEMBL22111791 0.72 LMNA (0.39) ALDH1A1KMT2AMTORPOLBHTR2A
SCHEMBL21821650 0.72 HSP90AA1 (0.37) KDM4ETSHRPOLBMAP1LC3BCYP2C19
SCHEMBL22111786 0.72 JAK1 (0.41) —
SCHEMBL22111797 0.69 MAP1LC3B (0.40) ALDH1A1KMT2AKDM4EMAP1LC3BCYP2C19
SCHEMBL22111781 0.68 MAPK1 (0.40) ALDH1A1KMT2AMAPK1DRD3
SCHEMBL21821929 0.67 CYP3A4 (0.33) ALDH1A1KMT2A
SCHEMBL22111846 0.67 MAP1LC3B (0.41) ALDH1A1KMT2AKDM4ETSHRMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11319303-B2 Compound used as autophagy regulator, and preparation method therefor and uses thereof Wigen Biomedicine Technology (shanghai) Co., Ltd. (CN) 2022-05-03 — — US disclosed
US-20200190066-A1 COMPOUND USED AS AUTOPHAGY REGULATOR, AND PREPARATION METHOD THEREFOR AND USES THEREOF Wigen Biomedicine Technology (shanghai) Co., Ltd. (CN) 2020-06-18 — — 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 (2 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-11319303-B2 Compound used as autophagy regulator, and preparation method therefor and uses thereof ATG7, SQSTM1, BECN1 ALDH1A1 4264/4885KMT2A 3378/4885KDM4E 2846/4885
US-20200190066-A1 COMPOUND USED AS AUTOPHAGY REGULATOR, AND PREPARATION METHOD THEREFOR AND USES THEREOF ATG7, SQSTM1, BECN1 ALDH1A1 4264/4885KMT2A 3378/4885KDM4E 2846/4885

“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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