SCHEMBL21145752

SCHEMBL21145752

COc1cc(Br)c(Br)c(/C=N/NC(=O)c2cccc(F)c2)c1O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2C19 P33261 1/20 0.56
KMT2A Q03164 6/20 0.54
NPC1 O15118 5/20 0.54
RAB9A P51151 5/20 0.54
SMN1; SMN2 Q16637 4/20 0.54
POLB P06746 3/20 0.54
CTDSP1 Q9GZU7 2/20 0.54
MAPT P10636 7/20 0.51
MEN1 O00255 5/20 0.51
KDM4E B2RXH2 1/20 0.51
GAA P10253 1/20 0.51
ASF1A Q9Y294 3/20 0.50
LMNA P02545 2/20 0.49
ALDH1A1 P00352 1/20 0.49
GFER P55789 3/20 0.49
HPGD P15428 2/20 0.48
HTT P42858 1/20 0.48
THRB P10828 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
SCHEMBL21145754 1.00 CYP1A2 (0.56) CYP1A2CYP3A4CYP2C19KMT2ANPC1
SCHEMBL21145679 0.88 POLB (0.62) KMT2ANPC1SMN1; SMN2POLBMAPT
SCHEMBL21145678 0.88 POLB (0.62) KMT2ANPC1SMN1; SMN2POLBMAPT
SCHEMBL21145736 0.82 ASF1A (0.64) KMT2ANPC1RAB9APOLBMAPT
SCHEMBL21145738 0.82 ASF1A (0.64) KMT2ANPC1RAB9APOLBMAPT
SCHEMBL21145705 0.82 SIRT1 (0.60) KMT2ASMN1; SMN2POLBMAPTMEN1
SCHEMBL21145703 0.82 SIRT1 (0.60) KMT2ASMN1; SMN2POLBMAPTMEN1
SCHEMBL21145674 0.81 GCGR (0.59) KMT2ASMN1; SMN2POLBMAPTMEN1
SCHEMBL21145675 0.81 GCGR (0.59) KMT2ASMN1; SMN2POLBMAPTMEN1
SCHEMBL21145745 0.81 KMT2A (0.53) KMT2ANPC1RAB9ASMN1; SMN2POLB

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 CYP1A2 4595/4885CYP3A4 4513/4885CYP2C19 4785/4885
US-11166924-B2 N-methyl-d-aspartate receptor allosteric modulators and methods for their use GRIN2A, GRIN3A, GRIN1 CYP1A2 4595/4885CYP3A4 4513/4885CYP2C19 4785/4885

“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.