SCHEMBL21145667

SCHEMBL21145667

CCOc1cc(Br)cc(/C=N/NC(=O)c2ccccc2N)c1O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.64
MEN1 O00255 3/20 0.64
NPC1 O15118 2/20 0.64
KLF5 Q13887 2/20 0.64
L3MBTL1 Q9Y468 1/20 0.64
ALDH1A1 P00352 1/20 0.49
KDM4E B2RXH2 4/20 0.48
LMNA P02545 4/20 0.48
HTT P42858 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
MITF O75030 1/20 0.48
GLA P06280 1/20 0.48
MAPT P10636 5/20 0.48
MAPK1 P28482 1/20 0.48
PIK3CG P48736 1/20 0.47
RAB9A P51151 1/20 0.46
NCOA3 Q9Y6Q9 1/20 0.46
PTK6 Q13882 1/20 0.46
TDP1 Q9NUW8 2/20 0.46
ATM Q13315 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
SCHEMBL21145668 1.00 KMT2A (0.64) KMT2AMEN1NPC1KLF5L3MBTL1
SCHEMBL21145665 0.90 MEN1 (0.66) KMT2AMEN1NPC1KLF5L3MBTL1
SCHEMBL21145663 0.90 MEN1 (0.66) KMT2AMEN1NPC1KLF5L3MBTL1
SCHEMBL21145654 0.89 NPC1 (0.65) KMT2AMEN1NPC1KLF5L3MBTL1
SCHEMBL21145656 0.89 NPC1 (0.65) KMT2AMEN1NPC1KLF5L3MBTL1
SCHEMBL21145755 0.88 KMT2A (0.64) KMT2AMEN1NPC1KLF5L3MBTL1
SCHEMBL21145756 0.88 KMT2A (0.64) KMT2AMEN1NPC1KLF5L3MBTL1
SCHEMBL21192742 0.85 MEN1 (0.78) KMT2AMEN1NPC1KLF5L3MBTL1
SCHEMBL21145661 0.85 MEN1 (0.63) KMT2AMEN1NPC1KLF5L3MBTL1
SCHEMBL21145660 0.85 MEN1 (0.63) KMT2AMEN1NPC1KLF5L3MBTL1

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

“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.