SCHEMBL6833244

SCHEMBL6833244

Cn1c(C(=O)Nc2ccc(C#N)cc2C(=O)O)cc2cccc(OCc3cccnc3)c21

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SGMS2 Q8NHU3 3/20 0.49
LRRK2 Q5S007 5/20 0.42
PPIA P62937 1/20 0.41
CHEK1 O14757 1/20 0.40
ALB P02768 1/20 0.39
MRGPRX4 Q96LA9 1/20 0.39
VNN1 O95497 1/20 0.39
LMNA P02545 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
GPR132 Q9UNW8 2/20 0.38
BRD4 O60885 1/20 0.38
MET P08581 1/20 0.38

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
SCHEMBL6814183 0.91 MRGPRX4 (0.43) SGMS2PPIAALBMRGPRX4LMNA
SCHEMBL6710120 0.85 SGMS2 (0.42) SGMS2LRRK2PPIACHEK1VNN1
SCHEMBL6830475 0.84 ALB (0.46) ALBLMNA
SCHEMBL6708983 0.83 SGMS2 (0.41) SGMS2LRRK2PPIACHEK1VNN1
SCHEMBL6833983 0.83 AKR1C2 (0.42) ALBLMNABRD4MET
SCHEMBL6834153 0.83 PLK1 (0.44) ALBLMNA
SCHEMBL6833872 0.83 KDM1A (0.43) ALBLMNA
SCHEMBL6834587 0.82 CYP1A2 (0.38) SGMS2ALBMRGPRX4LMNACYP1A2
SCHEMBL6834068 0.82 ALB (0.43) ALBMRGPRX4LMNA
SCHEMBL6830121 0.82 ALB (0.40) ALBMRGPRX4LMNA

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-20040110802-A1 Antibacterial benzoic acid derivatives PHARMACIA & UPJOHN COMPANY 2004-06-10 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-20040110802-A1 Antibacterial benzoic acid derivatives GABRD, GABBR1, GABRA1 SGMS2 4791/4885LRRK2 4720/4885PPIA 4193/4885

“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.