SCHEMBL684779

SCHEMBL684779

O=C(N/N=C/c1cc(Cl)cc(Cl)c1O)c1ccccc1Br

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.72
KMT2A Q03164 8/20 0.72
MAPT P10636 8/20 0.72
MEN1 O00255 7/20 0.72
HTT P42858 7/20 0.72
PIK3CG P48736 1/20 0.63
TDP1 Q9NUW8 3/20 0.60
NPC1 O15118 1/20 0.60
USP2 O75604 1/20 0.60
MCOLN3 Q8TDD5 1/20 0.60
L3MBTL1 Q9Y468 1/20 0.60
SMN1; SMN2 Q16637 3/20 0.56
LMNA P02545 1/20 0.56
ALOX12 P18054 1/20 0.56
KDM1A O60341 1/20 0.53
SIRT1 Q96EB6 2/20 0.52
FTO Q9C0B1 1/20 0.52
RAB9A P51151 1/20 0.51
ALDH1A1 P00352 2/20 0.50
GAA P10253 1/20 0.49

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
SCHEMBL21145681 1.00 KDM4E (0.72) KDM4EKMT2AMAPTMEN1HTT
SCHEMBL684550 0.91 KMT2A (0.74) KDM4EKMT2AMAPTMEN1HTT
SCHEMBL20587719 0.91 PIK3CG (0.60) KDM4EKMT2AMAPTMEN1HTT
SCHEMBL22179541 0.91 PIK3CG (0.60) KDM4EKMT2AMAPTMEN1HTT
SCHEMBL20587718 0.91 PIK3CG (0.60) KDM4EKMT2AMAPTMEN1HTT
SCHEMBL685177 0.89 PIK3CG (0.67) KDM4EKMT2AMAPTMEN1HTT
SCHEMBL684964 0.88 PIK3CG (0.63) KDM4EKMT2AMAPTMEN1HTT
SCHEMBL1639165 0.88 PIK3CG (0.72) KDM4EKMT2AMAPTMEN1HTT
SCHEMBL1639164 0.88 PIK3CG (0.72) KDM4EKMT2AMAPTMEN1HTT
SCHEMBL683738 0.88 PIK3CG (0.72) KDM4EKMT2AMAPTMEN1HTT

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 7 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
US-20120010075-A1 SYNERGISTIC FUNGICIDAL COMPOSITIONS INCLUDING HYDRAZONE DERIVATIVES AND COPPER DOW AGROSCIENCES LLC (US) 2012-01-12 US disclosed
US-20120010075-A1 SYNERGISTIC FUNGICIDAL COMPOSITIONS INCLUDING HYDRAZONE DERIVATIVES AND COPPER DOW AGROSCIENCES LLC (US) 2012-01-12 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 (3 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 KDM4E 1424/4885KMT2A 585/4885MAPT 695/4885
US-20120010075-A1 SYNERGISTIC FUNGICIDAL COMPOSITIONS INCLUDING HYDRAZONE DERIVATIVES AND COPPER SOD1, CYP51A1, SOD3 KDM4E 1473/4885KMT2A 1362/4885MAPT 1491/4885
US-11166924-B2 N-methyl-d-aspartate receptor allosteric modulators and methods for their use GRIN2A, GRIN3A, GRIN1 KDM4E 1424/4885KMT2A 585/4885MAPT 695/4885

“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.