SCHEMBL20028643

SCHEMBL20028643

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

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.63
MAPT P10636 3/20 0.63
MEN1 O00255 2/20 0.63
KMT2A Q03164 2/20 0.63
LMNA P02545 1/20 0.63
MPO P05164 1/20 0.63
TSHR P16473 1/20 0.63
BLM P54132 1/20 0.63
PMP22 Q01453 1/20 0.63
HIF1A Q16665 1/20 0.63
SMN1; SMN2 Q16637 2/20 0.61
HTR2A P28223 2/20 0.57
ADRB1 P08588 1/20 0.57
HTR1A P08908 1/20 0.57
ADRA2A P08913 1/20 0.57
SLC6A2 P23975 1/20 0.57
HTR1D P28221 1/20 0.57
HTR1B P28222 1/20 0.57
HTR2C P28335 1/20 0.57
HTR1E P28566 1/20 0.57

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
SCHEMBL8403649 0.84 KDM4E (0.78) KDM4EMAPTMEN1KMT2ALMNA
SCHEMBL29865910 0.84 KDM4E (0.78) KDM4EMAPTMEN1KMT2ALMNA
SCHEMBL29400974 0.84 KDM4E (0.78) KDM4EMAPTMEN1KMT2ALMNA
SCHEMBL358778 0.84 KDM4E (0.78) KDM4EMAPTMEN1KMT2ALMNA
SCHEMBL617181 0.84 KDM4E (0.78) KDM4EMAPTMEN1KMT2ALMNA
SCHEMBL29382126 0.84 KDM4E (0.78) KDM4EMAPTMEN1KMT2ALMNA
SCHEMBL2726806 0.84 KDM4E (0.78) KDM4EMAPTMEN1KMT2ALMNA
SCHEMBL8403647 0.84 KDM4E (0.78) KDM4EMAPTMEN1KMT2ALMNA
SCHEMBL5717554 0.84 SMN1; SMN2 (0.75) KDM4EMAPTMEN1KMT2ALMNA
SCHEMBL9976690 0.83 HTR2A (0.66) KDM4EMAPTMEN1KMT2ALMNA

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
US-11339130-B1 Calpain modulators and therapeutic uses thereof BLADE THERAPEUTICS, INC. (US) 2022-05-24 US disclosed
US-10934261-B2 Calpain modulators and therapeutic uses thereof BLADE THERAPEUTICS, INC. (US) 2021-03-02 US disclosed
US-10894776-B2 2021-01-19 US disclosed
WO-2018064119-A1 CALPAIN MODULATORS AND THERAPEUTIC USES THEREOF BLADE THERAPEUTICS, INC. (US) 2018-04-05 WO 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-10934261-B2 Calpain modulators and therapeutic uses thereof CAPNS1, CAPN9, CAPN1 KDM4E 3495/4885MAPT 562/4885MEN1 4845/4885
US-10894776-B2 CAPNS1, CAPN9, CAPN2 KDM4E 3117/4885MAPT 330/4885MEN1 4832/4885
US-11339130-B1 Calpain modulators and therapeutic uses thereof CAPNS1, CAPN9, CAPN1 KDM4E 3495/4885MAPT 562/4885MEN1 4845/4885

“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.