SCHEMBL21896322

SCHEMBL21896322

C=c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C=2c1ccccc1C(=O)N(C)CCN(C)C(=O)CI

nearest known ligand 0.31

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.31
▸ KMT2A Q03164 2/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ THRB P10828 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ L3MBTL1 Q9Y468 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
SCHEMBL17399555 0.90 PDK2 (0.35) MEN1KMT2AALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL17399556 0.88 PDK2 (0.37) MEN1KMT2AALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL12302214 0.84 SMN1; SMN2 (0.42) MEN1KMT2AKDM4EALDH1A1SMN1; SMN2
SCHEMBL17399559 0.84 MEN1 (0.35) MEN1KMT2AKDM4EALDH1A1SMN1; SMN2
SCHEMBL13234516 0.83 MAOB (0.41) MEN1KMT2AKDM4EALDH1A1SMN1; SMN2
SCHEMBL9976333 0.83 SMN1; SMN2 (0.34) MEN1KMT2ASMN1; SMN2L3MBTL1
SCHEMBL16093539 0.82 CA12 (0.39) MEN1KMT2AKDM4EALDH1A1SMN1; SMN2
SCHEMBL21648614 0.78 CASP3 (0.35) MEN1KMT2AKDM4EALDH1A1SMN1; SMN2
SCHEMBL15942835 0.78 TSHR (0.41) MEN1KMT2AKDM4EALDH1A1SMN1; SMN2
SCHEMBL21648585 0.77 CA12 (0.34) MEN1KMT2AKDM4EALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11162952-B2 Single molecule peptide sequencing BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2021-11-02 — — US disclosed
US-20210072251-A9 SINGLE MOLECULE PEPTIDE SEQUENCING BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2021-03-11 — — US disclosed
US-20200124613-A1 SINGLE MOLECULE PEPTIDE SEQUENCING UNIV TEXAS (US) 2020-04-23 — — 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 (3 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-11162952-B2 Single molecule peptide sequencing MICA, ANPEP, VIP MEN1 2441/4885KMT2A 1930/4885KDM4E 4067/4885
US-20210072251-A9 SINGLE MOLECULE PEPTIDE SEQUENCING QPCTL, VIP, ANPEP MEN1 2287/4885KMT2A 230/4885KDM4E 751/4885
US-20200124613-A1 SINGLE MOLECULE PEPTIDE SEQUENCING QPCTL, VIP, ANPEP MEN1 2287/4885KMT2A 230/4885KDM4E 751/4885

“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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