SCHEMBL6708917

SCHEMBL6708917

Cn1c(C(=O)Nc2ccc(C#N)cc2-c2noc(=O)[nH]2)cc2ccc(OCC3CCC3)cc21

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 15/20 0.43
RCOR1 Q9UKL0 6/20 0.39
SLC6A2 P23975 2/20 0.37
SLC6A4 P31645 2/20 0.37
SLC6A3 Q01959 2/20 0.37
HTR3A P46098 1/20 0.36
KCNH2 Q12809 1/20 0.36
LCK P06239 1/20 0.36
FYN P06241 1/20 0.36
MAOA P21397 2/20 0.35
KDM1B Q8NB78 1/20 0.35
MCHR1 Q99705 1/20 0.35
EGLN1 Q9GZT9 1/20 0.35

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
SCHEMBL6708819 0.97 KDM1A (0.43) KDM1ARCOR1SLC6A2SLC6A4SLC6A3
SCHEMBL6708850 0.90 KDM1A (0.41) KDM1ARCOR1
SCHEMBL6707730 0.90 KDM1A (0.40) KDM1ARCOR1MAOAMCHR1
SCHEMBL6714061 0.89 PLA2G4A (0.39) KDM1A
SCHEMBL6713543 0.87 KDM1A (0.41) KDM1ARCOR1MAOAMCHR1
SCHEMBL6708946 0.87 KDM1A (0.41) KDM1ARCOR1
SCHEMBL6918878 0.86 TDP2 (0.45) KDM1ARCOR1MAOA
SCHEMBL6707752 0.85 KDM1A (0.43) KDM1ARCOR1SLC6A2SLC6A4SLC6A3
SCHEMBL6707700 0.85 KDM1A (0.38) KDM1ARCOR1LCKFYNMAOA
SCHEMBL6711922 0.85 LMNA (0.34) KDM1ALCKFYN

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-20040142981-A1 Antibacterial benzoic acid derivatives PHARMACIA & UPJOHN COMPANY 2004-07-22 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-20040142981-A1 Antibacterial benzoic acid derivatives GABRD, PHB1, GABBR1 KDM1A 620/4885RCOR1 3366/4885SLC6A2 4526/4885

“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.