SCHEMBL21145674

SCHEMBL21145674

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

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GCGR P47871 1/20 0.59
ASF1A Q9Y294 6/20 0.54
POLB P06746 2/20 0.53
ESRRG P62508 3/20 0.51
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
MAPT P10636 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.48
GAA P10253 1/20 0.48
HPGD P15428 1/20 0.48
HTT P42858 1/20 0.48
SIRT1 Q96EB6 4/20 0.48
MAPK1 P28482 1/20 0.48

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
SCHEMBL21145675 1.00 GCGR (0.59) GCGRASF1APOLBESRRGMEN1
SCHEMBL21145705 0.88 SIRT1 (0.60) ASF1APOLBMEN1KMT2AMAPT
SCHEMBL21145703 0.88 SIRT1 (0.60) ASF1APOLBMEN1KMT2AMAPT
SCHEMBL21145678 0.88 POLB (0.62) ASF1APOLBMEN1KMT2AMAPT
SCHEMBL21145679 0.88 POLB (0.62) ASF1APOLBMEN1KMT2AMAPT
SCHEMBL21145754 0.81 CYP1A2 (0.56) ASF1APOLBMEN1KMT2AMAPT
SCHEMBL21145752 0.81 CYP1A2 (0.56) ASF1APOLBMEN1KMT2AMAPT
SCHEMBL21145736 0.80 ASF1A (0.64) ASF1APOLBMEN1KMT2AMAPT
SCHEMBL21145745 0.80 KMT2A (0.53) ASF1APOLBMEN1KMT2AMAPT
SCHEMBL21145743 0.80 KMT2A (0.53) ASF1APOLBMEN1KMT2AMAPT

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 GCGR 1704/4885ASF1A 1418/4885POLB 3161/4885
US-11166924-B2 N-methyl-d-aspartate receptor allosteric modulators and methods for their use GRIN2A, GRIN3A, GRIN1 GCGR 1704/4885ASF1A 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.