SCHEMBL21145704

SCHEMBL21145704

CCOc1cc(Cl)c(Cl)c(/C=N/NC(=O)c2cccc(Br)c2C)c1O

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.47
KDM4E B2RXH2 2/20 0.46
HTT P42858 2/20 0.46
ALDH1A1 P00352 1/20 0.46
PTK6 Q13882 1/20 0.46
LMNA P02545 2/20 0.44
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
NPC1 O15118 1/20 0.43
KLF5 Q13887 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MAPT P10636 5/20 0.42
ATM Q13315 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
MCL1 Q07820 1/20 0.41

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
SCHEMBL21145706 1.00 POLB (0.47) POLBKDM4EHTTALDH1A1PTK6
SCHEMBL21145677 0.91 KDM4E (0.52) POLBKDM4EHTTALDH1A1PTK6
SCHEMBL21145676 0.91 KDM4E (0.52) POLBKDM4EHTTALDH1A1PTK6
SCHEMBL21145729 0.89 MAPT (0.47) POLBKDM4EHTTALDH1A1LMNA
SCHEMBL21145731 0.89 MAPT (0.47) POLBKDM4EHTTALDH1A1LMNA
SCHEMBL21145735 0.86 PTK6 (0.48) POLBKDM4EALDH1A1PTK6LMNA
SCHEMBL21145737 0.86 PTK6 (0.48) POLBKDM4EALDH1A1PTK6LMNA
SCHEMBL21145686 0.86 KMT2A (0.50) POLBKDM4EHTTALDH1A1PTK6
SCHEMBL21145732 0.85 ATM (0.47) POLBKDM4EHTTALDH1A1PTK6
SCHEMBL21145730 0.85 ATM (0.47) POLBKDM4EHTTALDH1A1PTK6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3515427-A2 N-METHYL-D-ASPARTATE RECEPTOR ALLOSTERIC MODULATORS AND METHODS FOR THEIR USE Qingdao Primedicine Pharmaceutical Co., Ltd (CN) 2019-07-31 EP claimed
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 POLB 3161/4885KDM4E 1424/4885HTT 337/4885
US-11166924-B2 N-methyl-d-aspartate receptor allosteric modulators and methods for their use GRIN2A, GRIN3A, GRIN1 POLB 3161/4885KDM4E 1424/4885HTT 337/4885

“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.