SCHEMBL21145679

SCHEMBL21145679

COc1cc(Br)c(Br)c(C=NNC(=O)c2ccccc2)c1O

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.62
ASF1A Q9Y294 5/20 0.61
MEN1 O00255 3/20 0.58
KMT2A Q03164 3/20 0.58
KDM4E B2RXH2 4/20 0.58
GAA P10253 2/20 0.58
MAPT P10636 5/20 0.56
SIRT1 Q96EB6 3/20 0.56
LMNA P02545 3/20 0.56
SMN1; SMN2 Q16637 2/20 0.54
MAPK1 P28482 1/20 0.54
NPC1 O15118 1/20 0.53
HTT P42858 1/20 0.53
ERN1 O75460 1/20 0.51

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
SCHEMBL21145678 1.00 POLB (0.62) POLBASF1AMEN1KMT2AKDM4E
SCHEMBL21145705 0.89 SIRT1 (0.60) POLBASF1AMEN1KMT2AMAPT
SCHEMBL21145703 0.89 SIRT1 (0.60) POLBASF1AMEN1KMT2AMAPT
SCHEMBL21145754 0.88 CYP1A2 (0.56) POLBASF1AMEN1KMT2AKDM4E
SCHEMBL21145752 0.88 CYP1A2 (0.56) POLBASF1AMEN1KMT2AKDM4E
SCHEMBL21145675 0.88 GCGR (0.59) POLBASF1AMEN1KMT2AKDM4E
SCHEMBL21145674 0.88 GCGR (0.59) POLBASF1AMEN1KMT2AKDM4E
SCHEMBL21145745 0.87 KMT2A (0.53) POLBASF1AMEN1KMT2AKDM4E
SCHEMBL21145743 0.87 KMT2A (0.53) POLBASF1AMEN1KMT2AKDM4E
SCHEMBL21145659 0.86 MEN1 (0.52) POLBASF1AMEN1KMT2AKDM4E

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 2 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-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 3161/4885ASF1A 1418/4885MEN1 4774/4885
US-11166924-B2 N-methyl-d-aspartate receptor allosteric modulators and methods for their use GRIN2A, GRIN3A, GRIN1 POLB 3161/4885ASF1A 1418/4885MEN1 4774/4885

“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.