SCHEMBL21726115

SCHEMBL21726115

CN1c2ccccc2-c2ccccc2C1(C)I

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.40
KDM4E B2RXH2 6/20 0.40
KMT2A Q03164 5/20 0.40
MEN1 O00255 4/20 0.40
MAPK1 P28482 1/20 0.40
ALDH1A1 P00352 5/20 0.38
LMNA P02545 4/20 0.38
GAA P10253 3/20 0.38
MCL1 Q07820 2/20 0.38
PAX8 Q06710 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ALOX15 P16050 1/20 0.36
GPR3 P46089 1/20 0.35
NOTUM Q6P988 1/20 0.35
HTT P42858 3/20 0.34
PGR P06401 2/20 0.34
HPGD P15428 2/20 0.33
ATM Q13315 1/20 0.33
TTR P02766 1/20 0.33
CES1 P23141 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
SCHEMBL18415206 0.69 PDK2 (0.41) MAPTKDM4EKMT2AMEN1ALDH1A1
SCHEMBL29099251 0.68 MAPT (0.42) MAPTKDM4EKMT2AMEN1MAPK1
SCHEMBL20952938 0.66 NOTUM (0.38) MAPTKMT2AMEN1ALDH1A1NOTUM
SCHEMBL11990876 0.65 MAPT (0.41) MAPTKDM4EKMT2AMEN1MAPK1
SCHEMBL20618813 0.65 ALDH1A1 (0.47) MAPTKDM4EKMT2AMEN1MAPK1
SCHEMBL19773135 0.64 MAPT (0.43) MAPTKDM4EKMT2AMEN1MAPK1
SCHEMBL17275723 0.64 ALDH1A1 (0.50) MAPTKDM4EKMT2AMEN1MAPK1
SCHEMBL8911633 0.64 LMNA (0.41) MAPTKDM4EKMT2AMEN1MAPK1
SCHEMBL18383337 0.64 PDK2 (0.44) MAPTKDM4EKMT2AMEN1ALDH1A1
SCHEMBL283246 0.64 HTR2A (0.48) MAPTKDM4EKMT2AMEN1ALDH1A1

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-10562933-B2 Template-fixed beta-hairpin peptidomimetics with protease inhibitory activity POLYPHOR LTD. (CH) 2020-02-18 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 (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-10562933-B2 Template-fixed beta-hairpin peptidomimetics with protease inhibitory activity CTSG, CTRL, PREP MAPT 2118/4885KDM4E 2581/4885KMT2A 1489/4885

“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.