SCHEMBL6712448

SCHEMBL6712448

COc1ccccc1-c1cccc2cc(C(=O)Nc3ccc(C#N)cc3-c3nnn[nH]3)n(C)c12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.36
LRRK2 Q5S007 1/20 0.35
LCK P06239 5/20 0.35
FBP1 P09467 1/20 0.34
GPR6 P46095 1/20 0.34
MAPT P10636 3/20 0.33
STK10 O94804 1/20 0.33
CLK2 P49760 1/20 0.33
GSK3A P49840 1/20 0.33
GSK3B P49841 1/20 0.33
SLK Q9H2G2 1/20 0.33
CLK4 Q9HAZ1 1/20 0.33
DRD2 P14416 2/20 0.33
DRD4 P21917 2/20 0.33
DRD3 P35462 2/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
ALDH1A1 P00352 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
IMPDH2 P12268 1/20 0.33

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
SCHEMBL6708989 0.90 LMNA (0.38) LRRK2MAPTGSK3AGSK3BLMNA
SCHEMBL6711902 0.89 THRB (0.37) GPR6ALDH1A1SMN1; SMN2LMNA
SCHEMBL6710210 0.89 GSK3A (0.36) GSK3AGSK3BALDH1A1HSD17B10
SCHEMBL6711785 0.88 HPGD (0.40) KDM4ELCKMAPTALDH1A1SMN1; SMN2
SCHEMBL6711744 0.88 GPR35 (0.42) KDM4ELCKMAPTLMNAALOX15
SCHEMBL6708936 0.87 KDM1A (0.34) LCKFBP1GPR6MAPTSMN1; SMN2
SCHEMBL6707965 0.87 NTRK1 (0.35)
SCHEMBL6709167 0.87 SCN2A (0.36) KDM4EMAPTLMNA
SCHEMBL6710104 0.86 TRPA1 (0.33) FBP1LMNA
SCHEMBL6710432 0.85 LMNA (0.35) FBP1MAPTSMN1; SMN2LMNAHSD17B10

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 KDM4E 1582/4885LRRK2 4612/4885LCK 4247/4885

“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.