SCHEMBL21145686

SCHEMBL21145686

CCOc1cc(Br)c(Br)c(/C=N/NC(=O)c2cccc(Cl)c2C)c1O

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.50
MAPT P10636 4/20 0.50
MEN1 O00255 3/20 0.50
HTT P42858 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
POLB P06746 3/20 0.46
PTK6 Q13882 4/20 0.45
EGFR P00533 1/20 0.45
FYN P06241 1/20 0.45
BMX P51813 1/20 0.45
LMNA P02545 3/20 0.43
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 1/20 0.43
NPC1 O15118 1/20 0.42
KLF5 Q13887 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ATM Q13315 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
ALOX12 P18054 1/20 0.41

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
SCHEMBL21145689 1.00 KMT2A (0.50) KMT2AMAPTMEN1HTTSMN1; SMN2
SCHEMBL21145741 0.86 MAPT (0.53) KMT2AMAPTMEN1HTTSMN1; SMN2
SCHEMBL21145739 0.86 MAPT (0.53) KMT2AMAPTMEN1HTTSMN1; SMN2
SCHEMBL21145706 0.86 POLB (0.47) KMT2AMAPTMEN1HTTPOLB
SCHEMBL21145704 0.86 POLB (0.47) KMT2AMAPTMEN1HTTPOLB
SCHEMBL21145669 0.83 IDO1 (0.53) KMT2AMAPTMEN1HTTSMN1; SMN2
SCHEMBL21145671 0.83 IDO1 (0.53) KMT2AMAPTMEN1HTTSMN1; SMN2
SCHEMBL21145716 0.80 MAPT (0.53) KMT2AMAPTMEN1HTTSMN1; SMN2
SCHEMBL21145714 0.80 MAPT (0.53) KMT2AMAPTMEN1HTTSMN1; SMN2
SCHEMBL21145701 0.80 NCOA3 (0.60) KMT2AMAPTMEN1HTTSMN1; SMN2

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 KMT2A 585/4885MAPT 695/4885MEN1 4774/4885
US-11166924-B2 N-methyl-d-aspartate receptor allosteric modulators and methods for their use GRIN2A, GRIN3A, GRIN1 KMT2A 585/4885MAPT 695/4885MEN1 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.