SCHEMBL21145649

SCHEMBL21145649

CCOc1cc(Br)cc(C=NNC(=O)c2ccc(C)cc2Cl)c1O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.60
NPC1 O15118 2/20 0.60
MEN1 O00255 1/20 0.60
KLF5 Q13887 1/20 0.60
L3MBTL1 Q9Y468 1/20 0.60
PIK3CG P48736 5/20 0.59
MAPT P10636 4/20 0.51
LMNA P02545 4/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
ALDH1A1 P00352 1/20 0.48
HSD11B1 P28845 1/20 0.48
KDM4E B2RXH2 2/20 0.47
HTT P42858 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
ALOX12 P18054 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
PTK6 Q13882 1/20 0.46

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
SCHEMBL21145647 1.00 KMT2A (0.60) KMT2ANPC1MEN1KLF5L3MBTL1
SCHEMBL21145755 0.89 KMT2A (0.64) KMT2ANPC1MEN1KLF5L3MBTL1
SCHEMBL21145756 0.89 KMT2A (0.64) KMT2ANPC1MEN1KLF5L3MBTL1
SCHEMBL21145654 0.84 NPC1 (0.65) KMT2ANPC1MEN1KLF5L3MBTL1
SCHEMBL21145656 0.84 NPC1 (0.65) KMT2ANPC1MEN1KLF5L3MBTL1
SCHEMBL21145693 0.83 LMNA (0.52) KMT2ANPC1MEN1L3MBTL1PIK3CG
SCHEMBL21145691 0.83 LMNA (0.52) KMT2ANPC1MEN1L3MBTL1PIK3CG
SCHEMBL21145665 0.82 MEN1 (0.66) KMT2ANPC1MEN1KLF5L3MBTL1
SCHEMBL21145663 0.82 MEN1 (0.66) KMT2ANPC1MEN1KLF5L3MBTL1
SCHEMBL21145660 0.82 MEN1 (0.63) KMT2ANPC1MEN1KLF5L3MBTL1

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 3 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-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 KMT2A 585/4885NPC1 1570/4885MEN1 4774/4885
US-11166924-B2 N-methyl-d-aspartate receptor allosteric modulators and methods for their use GRIN2A, GRIN3A, GRIN1 KMT2A 585/4885NPC1 1570/4885MEN1 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.