SCHEMBL22654031

SCHEMBL22654031

O=C(O)[C@H](Cc1c[nH]c2ccccc12)N(Cc1ccccc1)Cc1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.60
KMT2A Q03164 3/20 0.59
KDM4E B2RXH2 2/20 0.59
MAPT P10636 2/20 0.59
MEN1 O00255 2/20 0.59
LMNA P02545 2/20 0.59
APAF1 O14727 1/20 0.59
POLB P06746 1/20 0.59
RECQL P46063 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
MPO P05164 1/20 0.59
TSHR P16473 1/20 0.59
BLM P54132 1/20 0.59
PMP22 Q01453 1/20 0.59
HIF1A Q16665 1/20 0.59
TACR1 P25103 1/20 0.56
CDK4 P11802 1/20 0.54
ECE1 P42892 1/20 0.54
SLC6A2 P23975 1/20 0.53
FNTA P49354 1/20 0.53

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
SCHEMBL22654030 1.00 SMN1; SMN2 (0.60) SMN1; SMN2KMT2AKDM4EMAPTMEN1
SCHEMBL12818038 1.00 SMN1; SMN2 (0.60) SMN1; SMN2KMT2AKDM4EMAPTMEN1
SCHEMBL38652174 0.87 KDM4E (0.60) SMN1; SMN2KMT2AKDM4EMAPTMEN1
SCHEMBL25060309 0.87 TACR1 (0.62) SMN1; SMN2KMT2AKDM4EMAPTMEN1
SCHEMBL38660959 0.87 TACR1 (0.56) SMN1; SMN2KMT2AKDM4EMAPTMEN1
SCHEMBL23027210 0.87 TACR1 (0.62) SMN1; SMN2KMT2AKDM4EMAPTMEN1
SCHEMBL31619542 0.86 TACR1 (0.58) SMN1; SMN2KMT2AKDM4EMAPTMEN1
SCHEMBL30735894 0.85 KDM4E (0.64) SMN1; SMN2KMT2AKDM4EMAPTMEN1
SCHEMBL30078422 0.85 SMN1; SMN2 (0.62) SMN1; SMN2KMT2AKDM4EMAPTMEN1
SCHEMBL1162357 0.85 SMN1; SMN2 (0.65) SMN1; SMN2KMT2AKDM4EMAPTMEN1

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
EP-3737663-B1 MANGANESE-CATALYSED HYDROGENATION OF ESTERS UNIV COURT UNIV ST ANDREWS (GB) 2023-02-22 EP disclosed
US-20210053932-A1 MANGANESE-CATALYSED HYDROGENATION OF ESTERS UNIVERSITY COURT OF THE UNIVERSITY OF ST ANDREWS (GB) 2021-02-25 US disclosed
EP-3737663-A1 MANGANESE-CATALYSED HYDROGENATION OF ESTERS University Court of The University of St Andrews (GB) 2020-11-18 EP disclosed
CN-111587238-A Manganese catalyzed ester hydrogenation 圣安德鲁斯大学董事会 2020-08-25 CN 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-20210053932-A1 MANGANESE-CATALYSED HYDROGENATION OF ESTERS ADH5, HDHD5, ADH1A SMN1; SMN2 300/4885KMT2A 575/4885KDM4E 1404/4885

“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.