SCHEMBL5876591

SCHEMBL5876591

Cc1ccc(S(=O)(=O)n2nc(Nc3ccccc3)c3c2CC(C)(c2ccccc2)C=C3)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.38
NR1H2 P55055 1/20 0.37
NR1H3 Q13133 1/20 0.37
GAA P10253 4/20 0.36
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
SLC9A1 P19634 1/20 0.34
ALDH1A1 P00352 3/20 0.34
HDAC3 O15379 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
MAPT P10636 5/20 0.33
LMNA P02545 2/20 0.33
HTT P42858 2/20 0.33
SMN1; SMN2 Q16637 2/20 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
SCHEMBL5875996 0.89 NR1H2 (0.38) CYP2C19NR1H2NR1H3GAAMEN1
SCHEMBL5877598 0.87 CYP2C19 (0.36) CYP2C19NR1H2NR1H3GAAMEN1
SCHEMBL5876490 0.85 USP2 (0.36) CYP2C19NR1H2NR1H3MEN1KMT2A
SCHEMBL5877764 0.85 NR1H2 (0.35) CYP2C19NR1H2NR1H3GAAMEN1
SCHEMBL5876873 0.84 ALDH1A1 (0.36) CYP2C19NR1H2NR1H3GAAMEN1
SCHEMBL5876253 0.84 NR1H2 (0.35) CYP2C19NR1H2NR1H3GAAMEN1
SCHEMBL5876313 0.84 ALDH1A1 (0.41) CYP2C19NR1H2NR1H3GAAMEN1
SCHEMBL5876433 0.83 POLB (0.36) CYP2C19NR1H2NR1H3GAAMEN1
SCHEMBL5877164 0.83 ALDH1A1 (0.37) NR1H2NR1H3GAAMEN1KMT2A
SCHEMBL5877371 0.83 KMT2A (0.36) CYP2C19NR1H2NR1H3GAAMEN1

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 CYP2C19 13/4885NR1H2 556/4885NR1H3 456/4885

“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.