SCHEMBL21145684

SCHEMBL21145684

CCOc1cc(Cl)cc(/C=N/NC(=O)c2ccccc2Br)c1O

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.62
MEN1 O00255 4/20 0.62
KMT2A Q03164 4/20 0.62
MAPT P10636 4/20 0.62
HTT P42858 3/20 0.62
ATM Q13315 1/20 0.56
NPC1 O15118 2/20 0.54
KLF5 Q13887 2/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
LMNA P02545 1/20 0.53
MAPK1 P28482 1/20 0.48
ALDH1A1 P00352 3/20 0.48
GAA P10253 1/20 0.48
PIK3CG P48736 1/20 0.47
PTPN12 Q05209 1/20 0.47
RAB9A P51151 1/20 0.46
NCOA3 Q9Y6Q9 1/20 0.46

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
SCHEMBL21145687 1.00 KDM4E (0.62) KDM4EMEN1KMT2AMAPTHTT
SCHEMBL21145663 0.90 MEN1 (0.66) KDM4EMEN1KMT2AMAPTHTT
SCHEMBL21145665 0.90 MEN1 (0.66) KDM4EMEN1KMT2AMAPTHTT
SCHEMBL21168969 0.89 ATM (0.57) KDM4EMEN1KMT2AMAPTHTT
SCHEMBL21145749 0.89 MAPT (0.65) KDM4EMEN1KMT2AMAPTHTT
SCHEMBL21145746 0.89 MAPT (0.65) KDM4EMEN1KMT2AMAPTHTT
SCHEMBL21145680 0.85 NCOA3 (0.62) KDM4EMEN1KMT2AMAPTHTT
SCHEMBL21145683 0.85 NCOA3 (0.62) KDM4EMEN1KMT2AMAPTHTT
SCHEMBL21192740 0.85 ATM (0.76) KDM4EMEN1KMT2AMAPTHTT
SCHEMBL21145755 0.84 KMT2A (0.64) KDM4EMEN1KMT2AMAPTHTT

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-11166924-B2 N-methyl-d-aspartate receptor allosteric modulators and methods for their use QINGDAO PRIMEDICINE PHARMACEUTICAL COMPANY, LTD. (CN) 2021-11-09 US disclosed
US-11166924-B2 N-methyl-d-aspartate receptor allosteric modulators and methods for their use QINGDAO PRIMEDICINE PHARMACEUTICAL COMPANY, LTD. (CN) 2021-11-09 US disclosed
US-20190216753-A1 N-METHYL-D-ASPARTATE RECEPTOR ALLOSTERIC MODULATORS AND METHODS FOR THEIR USE QINGDAO PRIMEDICINE PHARMACEUTICAL COMPANY, LTD. (CN) 2019-07-18 US disclosed
US-20190216753-A1 N-METHYL-D-ASPARTATE RECEPTOR ALLOSTERIC MODULATORS AND METHODS FOR THEIR USE QINGDAO PRIMEDICINE PHARMACEUTICAL COMPANY, LTD. (CN) 2019-07-18 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 (2 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-20190216753-A1 N-METHYL-D-ASPARTATE RECEPTOR ALLOSTERIC MODULATORS AND METHODS FOR THEIR USE GRIN2A, GRIN3A, GRIN1 KDM4E 1424/4885MEN1 4774/4885KMT2A 585/4885
US-11166924-B2 N-methyl-d-aspartate receptor allosteric modulators and methods for their use GRIN2A, GRIN3A, GRIN1 KDM4E 1424/4885MEN1 4774/4885KMT2A 585/4885

“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.