SCHEMBL5875928

SCHEMBL5875928

Cc1ccc(S(=O)(=O)n2nc(C(=O)O)c3c2CC(c2ccccn2)(c2ccccn2)C=C3)cc1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.39
KDM4E B2RXH2 1/20 0.39
POLB P06746 1/20 0.39
NR1H2 P55055 1/20 0.38
NR1H3 Q13133 1/20 0.38
GRM4 Q14833 2/20 0.35
CYP2C19 P33261 1/20 0.34
PTGS2 P35354 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.33
GSK3B P49841 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
LMNA P02545 1/20 0.33
TSHR P16473 1/20 0.33
ALOX12 P18054 1/20 0.33
SLC9A1 P19634 1/20 0.33
GAA P10253 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
SCHEMBL5877004 0.95 ALDH1A1 (0.37) ALDH1A1KDM4EPOLBNR1H2NR1H3
SCHEMBL5876068 0.89 NR1H2 (0.34) ALDH1A1KDM4EPOLBNR1H2NR1H3
SCHEMBL5876186 0.87 CYP2C19 (0.42) ALDH1A1KDM4ENR1H2NR1H3CYP2C19
SCHEMBL5876688 0.87 CYP2C19 (0.36) ALDH1A1KDM4EPOLBNR1H2NR1H3
SCHEMBL5876231 0.86 CYP2C19 (0.39) ALDH1A1KDM4EPOLBNR1H2NR1H3
SCHEMBL5878190 0.85 ALDH1A1 (0.39) ALDH1A1KDM4EPOLBNR1H2NR1H3
SCHEMBL5876034 0.84 NR1H2 (0.36) ALDH1A1KDM4ENR1H2NR1H3CYP2C19
SCHEMBL5876035 0.83 NR1H2 (0.35) ALDH1A1KDM4EPOLBNR1H2NR1H3
SCHEMBL5876250 0.83 ALDH1A1 (0.37) ALDH1A1NR1H2NR1H3CYP2C19PTGS2
SCHEMBL5877755 0.82 GBA1 (0.35) ALDH1A1KDM4EPOLBNR1H2NR1H3

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-7119115-B2 Indazole or indole derivatives, and use thereof in human medicine and more particularly in oncology AVENTIS PHARMA S.A. (FR) 2006-10-10 US disclosed
US-20040162276-A1 Indazole or indole derivatives, and use thereof in human medicine and more particularly in oncology AVENTIS PHARMA S.A. (FR) 2004-08-19 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-20040162276-A1 Indazole or indole derivatives, and use thereof in human medicine and more particularly in oncology IDO1, IDO2, INMT ALDH1A1 166/4885KDM4E 3189/4885POLB 4778/4885

“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.