SCHEMBL21145680

SCHEMBL21145680

CCOc1cccc(/C=N/NC(=O)c2ccccc2Br)c1O

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NCOA3 Q9Y6Q9 2/20 0.62
MAPT P10636 9/20 0.62
KDM4E B2RXH2 9/20 0.62
MEN1 O00255 7/20 0.62
KMT2A Q03164 7/20 0.62
HTT P42858 7/20 0.62
NPC1 O15118 5/20 0.59
RAB9A P51151 3/20 0.59
KLF5 Q13887 2/20 0.59
NCOA1 Q15788 1/20 0.55
LMNA P02545 5/20 0.54
SMN1; SMN2 Q16637 5/20 0.54
MAPK1 P28482 1/20 0.54
ALDH1A1 P00352 1/20 0.54
HPGD P15428 1/20 0.54
L3MBTL1 Q9Y468 2/20 0.52
TDP1 Q9NUW8 3/20 0.52
POLB P06746 1/20 0.52
NR2F2 P24468 1/20 0.52
CASP3 P42574 1/20 0.52

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
SCHEMBL21145683 1.00 NCOA3 (0.62) NCOA3MAPTKDM4EMEN1KMT2A
SCHEMBL1638493 0.89 NCOA3 (0.65) NCOA3MAPTKDM4EMEN1KMT2A
SCHEMBL1638494 0.89 NCOA3 (0.65) NCOA3MAPTKDM4EMEN1KMT2A
SCHEMBL21145665 0.87 MEN1 (0.66) NCOA3MAPTKDM4EMEN1KMT2A
SCHEMBL21145663 0.87 MEN1 (0.66) NCOA3MAPTKDM4EMEN1KMT2A
SCHEMBL21168976 0.87 MAPT (0.58) MAPTKDM4EMEN1KMT2AHTT
SCHEMBL21145687 0.85 KDM4E (0.62) NCOA3MAPTKDM4EMEN1KMT2A
SCHEMBL21145684 0.85 KDM4E (0.62) NCOA3MAPTKDM4EMEN1KMT2A
SCHEMBL21192739 0.85 NCOA3 (0.76) NCOA3MAPTKDM4EMEN1KMT2A
SCHEMBL21145699 0.83 NCOA3 (0.60) NCOA3MAPTKDM4EMEN1KMT2A

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 NCOA3 925/4885MAPT 695/4885KDM4E 1424/4885
US-11166924-B2 N-methyl-d-aspartate receptor allosteric modulators and methods for their use GRIN2A, GRIN3A, GRIN1 NCOA3 925/4885MAPT 695/4885KDM4E 1424/4885

“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.