SCHEMBL21145703

SCHEMBL21145703

COc1cc(Br)c(Br)c(/C=N/NC(=O)c2ccc(Cl)cc2)c1O

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SIRT1 Q96EB6 4/20 0.60
ASF1A Q9Y294 7/20 0.55
POLB P06746 3/20 0.54
MAPT P10636 2/20 0.53
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.50
LMNA P02545 1/20 0.50
PTBP1 P26599 1/20 0.50
HTT P42858 1/20 0.50
RECQL P46063 1/20 0.50
MAPK1 P28482 1/20 0.49
ERN1 O75460 1/20 0.49

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
SCHEMBL21145705 1.00 SIRT1 (0.60) SIRT1ASF1APOLBMAPTMEN1
SCHEMBL21145678 0.89 POLB (0.62) SIRT1ASF1APOLBMAPTMEN1
SCHEMBL21145679 0.89 POLB (0.62) SIRT1ASF1APOLBMAPTMEN1
SCHEMBL21145675 0.88 GCGR (0.59) SIRT1ASF1APOLBMAPTMEN1
SCHEMBL21145674 0.88 GCGR (0.59) SIRT1ASF1APOLBMAPTMEN1
SCHEMBL21145714 0.83 MAPT (0.53) ASF1APOLBMAPTMEN1KMT2A
SCHEMBL21145716 0.83 MAPT (0.53) ASF1APOLBMAPTMEN1KMT2A
SCHEMBL21145752 0.82 CYP1A2 (0.56) ASF1APOLBMAPTMEN1KMT2A
SCHEMBL21145754 0.82 CYP1A2 (0.56) ASF1APOLBMAPTMEN1KMT2A
SCHEMBL21145745 0.81 KMT2A (0.53) ASF1APOLBMAPTMEN1KMT2A

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 SIRT1 1037/4885ASF1A 1418/4885POLB 3161/4885
US-11166924-B2 N-methyl-d-aspartate receptor allosteric modulators and methods for their use GRIN2A, GRIN3A, GRIN1 SIRT1 1037/4885ASF1A 1418/4885POLB 3161/4885

“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.