SCHEMBL3706754

SCHEMBL3706754

Cc1cc(Cl)nc(Cl)c1CBr

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C19 P33261 1/20 0.37
HIF1A Q16665 1/20 0.37
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
TAAR1 Q96RJ0 1/20 0.35
ALDH1A1 P00352 2/20 0.33
MAPK1 P28482 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
LMNA P02545 1/20 0.32
PDCD1LG2 Q9BQ51 1/20 0.30
CD274 Q9NZQ7 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL3752925 0.83 KDM4E (0.39) KDM4ECYP3A4CYP2C19HIF1AKMT2A
SCHEMBL5421781 0.79 TAAR1 (0.38) KDM4ECYP3A4CYP2C19HIF1AKMT2A
SCHEMBL3705107 0.79 KMT2A (0.40) KDM4ECYP3A4CYP2C19HIF1AKMT2A
SCHEMBL29882499 0.79 KMT2A (0.40) KDM4ECYP3A4CYP2C19HIF1AKMT2A
SCHEMBL15164736 0.76 SMN1; SMN2 (0.31) KDM4EKMT2ASMN1; SMN2
SCHEMBL25252301 0.76 HSP90AA1 (0.37) KDM4ECYP3A4CYP2C19KMT2AMEN1
SCHEMBL10451753 0.75 KCNH2 (0.36) KDM4ECYP3A4CYP2C19HIF1AKMT2A
SCHEMBL30096116 0.72 HTT (0.44) KDM4ECYP3A4CYP2C19HIF1AKMT2A
SCHEMBL23797878 0.71 ALDH1A1 (0.36) KDM4ECYP3A4CYP2C19HIF1AKMT2A
SCHEMBL31292364 0.71 CYP2C19 (0.33) KDM4ECYP3A4CYP2C19HIF1ALMNA

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
WO-2012064269-A1 COMPOUNDS AND THEIR USE FOR TREATMENT OF Αβ-RELATED DISEASES ASTRAZENECA AB (SE) 2012-05-18 WO disclosed
WO-2012064269-A1 COMPOUNDS AND THEIR USE FOR TREATMENT OF Αβ-RELATED DISEASES ASTRAZENECA AB (SE) 2012-05-18 WO disclosed
US-20120122843-A1 Compounds and Their Use for Treatment of Amyloid Beta-Related Diseases ASTRAZENECA AB (SE) 2012-05-17 US disclosed
US-20120122843-A1 Compounds and Their Use for Treatment of Amyloid Beta-Related Diseases ASTRAZENECA AB (SE) 2012-05-17 US disclosed
US-20120122843-A1 Compounds and Their Use for Treatment of Amyloid Beta-Related Diseases ASTRAZENECA AB (SE) 2012-05-17 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 (1 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-20120122843-A1 Compounds and Their Use for Treatment of Amyloid Beta-Related Diseases APP, BACE1, PSEN1 KDM4E 4725/4885CYP3A4 3017/4885CYP2C19 3022/4885

“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.