SCHEMBL21145682

SCHEMBL21145682

CCOc1cc(Br)cc(/C=N/NC(=O)c2ccc3c(c2)OCCO3)c1O

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.79
RAB9A P51151 6/20 0.79
KLF5 Q13887 2/20 0.79
POLB P06746 4/20 0.74
KMT2A Q03164 5/20 0.64
MEN1 O00255 4/20 0.64
L3MBTL1 Q9Y468 2/20 0.62
ESR1 P03372 1/20 0.62
PSMD14 O00487 2/20 0.61
MMP2 P08253 1/20 0.61
MAPT P10636 4/20 0.57
LMNA P02545 1/20 0.57
TP53 P04637 1/20 0.57
HTT P42858 1/20 0.57
DUSP3 P51452 1/20 0.56
PTPN5 P54829 1/20 0.56
PTPN11 Q06124 1/20 0.56
KDM4E B2RXH2 2/20 0.55
ALDH1A1 P00352 1/20 0.55
RECQL P46063 1/20 0.55

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
SCHEMBL21145685 1.00 NPC1 (0.79) NPC1RAB9AKLF5POLBKMT2A
SCHEMBL13497007 0.85 POLB (1.00) NPC1RAB9AKLF5POLBKMT2A
SCHEMBL21145748 0.83 MEN1 (0.70) NPC1RAB9AKLF5POLBKMT2A
SCHEMBL21145672 0.83 KMT2A (0.76) NPC1RAB9AKLF5POLBKMT2A
SCHEMBL21145673 0.83 KMT2A (0.76) NPC1RAB9AKLF5POLBKMT2A
SCHEMBL21145750 0.83 MEN1 (0.70) NPC1RAB9AKLF5POLBKMT2A
SCHEMBL13497014 0.82 NPC1 (0.72) NPC1RAB9AKLF5POLBKMT2A
SCHEMBL21192742 0.82 MEN1 (0.78) NPC1RAB9AKLF5KMT2AMEN1
SCHEMBL21145664 0.80 KMT2A (0.78) NPC1RAB9AKLF5POLBKMT2A
SCHEMBL21145666 0.80 KMT2A (0.78) NPC1RAB9AKLF5POLBKMT2A

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 NPC1 1570/4885RAB9A 2636/4885KLF5 4547/4885
US-11166924-B2 N-methyl-d-aspartate receptor allosteric modulators and methods for their use GRIN2A, GRIN3A, GRIN1 NPC1 1570/4885RAB9A 2636/4885KLF5 4547/4885

“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.