SCHEMBL5876433

SCHEMBL5876433

Cc1ccc(S(=O)(=O)n2nc(Nc3ccccc3)c3c2CC(c2cccnc2)(c2cccnc2)C=C3)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.36
GPR6 P46095 1/20 0.35
ALDH1A1 P00352 3/20 0.35
NR1H2 P55055 1/20 0.34
NR1H3 Q13133 1/20 0.34
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
GBA1 P04062 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MAPT P10636 1/20 0.33
MAPK1 P28482 1/20 0.33
HTT P42858 1/20 0.33
CYP2C19 P33261 2/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
PKM P14618 1/20 0.33
GFER P55789 1/20 0.33
MEN1 O00255 1/20 0.32
GAA P10253 1/20 0.32

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
SCHEMBL5876722 0.99 POLB (0.35) POLBGPR6ALDH1A1NR1H2NR1H3
SCHEMBL5875996 0.92 NR1H2 (0.38) ALDH1A1NR1H2NR1H3SMN1; SMN2MAPT
SCHEMBL5877764 0.91 NR1H2 (0.35) ALDH1A1NR1H2NR1H3GBA1SMN1; SMN2
SCHEMBL5876253 0.90 NR1H2 (0.35) ALDH1A1NR1H2NR1H3GBA1SMN1; SMN2
SCHEMBL5877112 0.87 ALDH1A1 (0.37) GPR6ALDH1A1NR1H2NR1H3CYP11B1
SCHEMBL5876873 0.87 ALDH1A1 (0.36) ALDH1A1NR1H2NR1H3SMN1; SMN2MAPT
SCHEMBL5877529 0.86 CYP3A4 (0.36) POLBGPR6ALDH1A1CYP11B1CYP11B2
SCHEMBL5877418 0.86 ALDH1A1 (0.36) ALDH1A1NR1H2NR1H3CYP11B1CYP11B2
SCHEMBL5877164 0.86 ALDH1A1 (0.37) ALDH1A1NR1H2NR1H3SMN1; SMN2MAPT
SCHEMBL5877371 0.85 KMT2A (0.36) ALDH1A1NR1H2NR1H3SMN1; SMN2MAPT

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 POLB 4778/4885GPR6 986/4885ALDH1A1 166/4885

“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.