SCHEMBL6833748

SCHEMBL6833748

CCSc1cncc(C(=O)Nc2ccc(C#N)cc2C(=O)O)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALB P02768 2/20 0.51
SIRT2 Q8IXJ6 1/20 0.46
ALDH1A1 P00352 1/20 0.45
PLK1 P53350 3/20 0.43
MCL1 Q07820 1/20 0.43
BCL2A1 Q16548 1/20 0.43
KMT2A Q03164 4/20 0.42
GAA P10253 1/20 0.42
RAB9A P51151 1/20 0.42
KCNH2 Q12809 1/20 0.41
SCN10A Q9Y5Y9 1/20 0.41
F10 P00742 2/20 0.40
KCNK2 O95069 2/20 0.40
KCNK10 P57789 1/20 0.40
MEN1 O00255 3/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
XDH P47989 1/20 0.39
POLB P06746 1/20 0.39
TSHR P16473 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL6353729 0.88 PLK1 (0.54) ALBSIRT2ALDH1A1PLK1MCL1
SCHEMBL6833179 0.82 ALDH1A1 (0.66) ALBALDH1A1KMT2AGAARAB9A
Hydrochloric Acid SCHEMBL6821748 0.80 ALB (0.70) ALBPLK1KMT2ARAB9AF10
SCHEMBL6833312 0.79 ALB (0.48) ALBALDH1A1MCL1BCL2A1KMT2A
SCHEMBL6833755 0.78 KCNH2 (0.55) ALBALDH1A1KMT2AKCNH2SCN10A
SCHEMBL6834213 0.78 ALB (0.48) ALBALDH1A1MCL1BCL2A1KMT2A
SCHEMBL6360650 0.78 KMT2A (0.57) ALBSIRT2ALDH1A1PLK1MCL1
SCHEMBL6833871 0.78 MAPT (0.52) ALBALDH1A1MCL1BCL2A1KMT2A
SCHEMBL6821355 0.77 SERPINE1 (0.53) ALBSIRT2ALDH1A1KMT2AMEN1
SCHEMBL6833313 0.77 ALB (0.44) ALBSIRT2PLK1MCL1BCL2A1

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 ALB 1417/4885SIRT2 2389/4885ALDH1A1 170/4885

“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.