SCHEMBL6804939

SCHEMBL6804939

N#Cc1ccc(N)c(Cc2ccccc2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
GAA P10253 1/20 0.45
MAOB P27338 3/20 0.42
MAOA P21397 2/20 0.41
BCL2 P10415 1/20 0.40
BCL2L1 Q07817 1/20 0.40
MPO P05164 1/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
SLC6A3 Q01959 1/20 0.40
ADORA2A P29274 1/20 0.39
ADORA1 P30542 1/20 0.39
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
TSHR P16473 1/20 0.39
HTR2A P28223 1/20 0.38
LOXL2 Q9Y4K0 1/20 0.37
KIF11 P52732 1/20 0.37
LMNA P02545 1/20 0.37

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
SCHEMBL12550188 0.85 MPO (0.41) KDM4EALDH1A1GAAMPOSLC6A2
SCHEMBL28306841 0.83 BCL2 (0.40) BCL2BCL2L1MPOHTR2ACALM1
SCHEMBL5208540 0.81 MAOB (0.43) MAOBMAOABCL2BCL2L1CYP11B1
SCHEMBL22232024 0.80 KDM4E (0.40) KDM4EALDH1A1GAAMAOBMAOA
SCHEMBL27402207 0.79 SLC5A2 (0.47) ALDH1A1GAAMAOBMAOABCL2
SCHEMBL6532341 0.79 LOXL2 (0.48) GAAMAOBMAOASLC6A2SLC6A4
SCHEMBL11620528 0.77 TSHR (0.44) KDM4EALDH1A1GAASLC6A2SLC6A4
SCHEMBL5252001 0.77 MAOB (0.43) KDM4EMAOBMAOABCL2BCL2L1
SCHEMBL11620468 0.76 RORC (0.51) KDM4EALDH1A1GAASLC6A2SLC6A4
SCHEMBL6839208 0.76 HTR2A (0.48) KDM4EALDH1A1GAAMAOBMAOA

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-20040002521-A1 Cyclopropanecarboxylic acid amide compound and pharmaceutical use thereof AJINOMOTO CO. INC 2004-01-01 US claimed
US-20040002521-A1 Cyclopropanecarboxylic acid amide compound and pharmaceutical use thereof AJINOMOTO CO. INC 2004-01-01 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-20040002521-A1 Cyclopropanecarboxylic acid amide compound and pharmaceutical use thereof NFKBIA, IKBKB, CHUK KDM4E 1772/4885ALDH1A1 2224/4885GAA 2773/4885

“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.