SCHEMBL21168976

SCHEMBL21168976

CCOc1cccc(/C=N/NC(=O)c2ccccc2Br)c1OC

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.58
LMNA P02545 4/20 0.58
ALDH1A1 P00352 4/20 0.58
HPGD P15428 3/20 0.58
SMN1; SMN2 Q16637 3/20 0.58
KDM4E B2RXH2 6/20 0.54
MAPK1 P28482 2/20 0.53
KMT2A Q03164 4/20 0.52
MEN1 O00255 3/20 0.52
HTT P42858 2/20 0.52
NPSR1 Q6W5P4 1/20 0.51
POLB P06746 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
NPC1 O15118 1/20 0.49
PTPN12 Q05209 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
SCHEMBL21145683 0.87 NCOA3 (0.62) MAPTLMNAALDH1A1HPGDSMN1; SMN2
SCHEMBL21145680 0.87 NCOA3 (0.62) MAPTLMNAALDH1A1HPGDSMN1; SMN2
SCHEMBL21145665 0.79 MEN1 (0.66) MAPTLMNAALDH1A1HPGDSMN1; SMN2
SCHEMBL21145663 0.79 MEN1 (0.66) MAPTLMNAALDH1A1HPGDSMN1; SMN2
SCHEMBL21145684 0.77 KDM4E (0.62) MAPTLMNAALDH1A1KDM4EMAPK1
SCHEMBL21145687 0.77 KDM4E (0.62) MAPTLMNAALDH1A1KDM4EMAPK1
SCHEMBL13952108 0.77 KDM4E (0.67) MAPTLMNAALDH1A1HPGDSMN1; SMN2
SCHEMBL1638494 0.76 NCOA3 (0.65) MAPTLMNAHPGDSMN1; SMN2KDM4E
SCHEMBL1638493 0.76 NCOA3 (0.65) MAPTLMNAHPGDSMN1; SMN2KDM4E
SCHEMBL21145751 0.75 POLB (0.66) MAPTLMNAALDH1A1KDM4EKMT2A

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 2 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-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 MAPT 695/4885LMNA 4679/4885ALDH1A1 4093/4885
US-11166924-B2 N-methyl-d-aspartate receptor allosteric modulators and methods for their use GRIN2A, GRIN3A, GRIN1 MAPT 695/4885LMNA 4679/4885ALDH1A1 4093/4885

“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.