SCHEMBL29868015

SCHEMBL29868015

CN(C(=O)OCCl)c1ncccc1CO

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ KDM4E B2RXH2 4/20 0.36
▸ GAA P10253 1/20 0.36
▸ CASP3 P42574 2/20 0.35
▸ SENP8 Q96LD8 2/20 0.35
▸ SENP7 Q9BQF6 2/20 0.35
▸ SENP6 Q9GZR1 2/20 0.35
▸ ALDH1A1 P00352 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ MAPK1 P28482 2/20 0.33
▸ LMNA P02545 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ CYP4F2 P78329 1/20 0.33
▸ CYP4A11 Q02928 1/20 0.33
▸ BCHE P06276 1/20 0.33
▸ ACHE P22303 1/20 0.33
▸ TRPV1 Q8NER1 1/20 0.33

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
SCHEMBL23084702 1.00 MEN1 (0.38) MEN1KMT2AKDM4EGAACASP3
SCHEMBL30392953 0.82 CYP3A4 (0.38) MEN1KMT2AKDM4EGAAALDH1A1
SCHEMBL25577923 0.82 CYP3A4 (0.38) MEN1KMT2AKDM4EGAAALDH1A1
SCHEMBL23084701 0.81 BACE1 (0.38) CASP3SENP8SENP7SENP6ALDH1A1
SCHEMBL29868029 0.81 BACE1 (0.38) CASP3SENP8SENP7SENP6ALDH1A1
SCHEMBL23698605 0.81 HTT (0.35) MEN1KMT2AKDM4EGAACASP3
SCHEMBL23698705 0.81 ALDH1A1 (0.35) MEN1KMT2AKDM4EGAACASP3
SCHEMBL21155600 0.81 KMT2A (0.36) MEN1KMT2AKDM4EGAAALDH1A1
SCHEMBL30270924 0.79 CHRM2 (0.32) CASP3SENP8SENP7SENP6TRPV1
SCHEMBL23084799 0.79 POLB (0.38) KDM4EGAACASP3SENP8SENP7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11447449-B2 Inhibitors of indoleamine 2,3-dioxygenase and methods of their use BRISTOL-MYERS SQUIBB COMPANY (US) 2022-09-20 — — 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-11447449-B2 Inhibitors of indoleamine 2,3-dioxygenase and methods of their use IDO1, IDO2, INMT MEN1 1033/4885KMT2A 446/4885KDM4E 280/4885

“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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