SCHEMBL20544673

SCHEMBL20544673

CN(C)C(=O)c1c(C=Cc2ccc(Cl)nc2)[nH]c2cc(Br)ccc12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.36
KDM5A P29375 1/20 0.33
LMNA P02545 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
ALK Q9UM73 1/20 0.32
GRM4 Q14833 1/20 0.32
EGFR P00533 2/20 0.31
GPR17 Q13304 1/20 0.31
PADI4 Q9UM07 1/20 0.31
TUBB4A P04350 1/20 0.31
TUBB P07437 1/20 0.31
TUBA3C P0DPH7 1/20 0.31
TUBA1B P68363 1/20 0.31
TUBA4A P68366 1/20 0.31
TUBB4B P68371 1/20 0.31
TUBB3 Q13509 1/20 0.31
TUBB2A Q13885 1/20 0.31
TUBB8 Q3ZCM7 1/20 0.31
TUBA3E Q6PEY2 1/20 0.31
TUBA1A Q71U36 1/20 0.31

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
SCHEMBL18851012 1.00 ALDH1A1 (0.36) ALDH1A1KDM5ALMNAL3MBTL1ALK
SCHEMBL17433381 0.87 GPR17 (0.38) LMNAL3MBTL1GRM4GPR17PADI4
SCHEMBL19181920 0.87 GPR17 (0.38) LMNAL3MBTL1GRM4GPR17PADI4
SCHEMBL20545167 0.86 ALDH1A1 (0.39) ALDH1A1LMNAEGFRTUBB4ATUBB
SCHEMBL18849058 0.86 ALDH1A1 (0.39) ALDH1A1LMNAEGFRTUBB4ATUBB
SCHEMBL20544914 0.78 HRH4 (0.43) ALDH1A1LMNAEGFR
SCHEMBL18851034 0.78 HRH4 (0.43) ALDH1A1LMNAEGFR
SCHEMBL18850965 0.76 MAPT (0.44) ALDH1A1LMNA
SCHEMBL17433443 0.74 ALOX15 (0.41) ALDH1A1LMNATUBB4ATUBBTUBA3C
SCHEMBL19179999 0.74 ALOX15 (0.41) ALDH1A1LMNATUBB4ATUBBTUBA3C

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180312493-A1 Antibiotic Compounds, Pharmaceutical Formulations Thereof And Methods And Uses Therefor CENTRE FOR DRUG RESEARCH AND DEVELOPMENT (CA) 2018-11-01 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-20180312493-A1 Antibiotic Compounds, Pharmaceutical Formulations Thereof And Methods And Uses Therefor UGT1A8, CYP2C8, CXCL8 ALDH1A1 803/4885KDM5A 3161/4885LMNA 1975/4885

“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.