SCHEMBL5876505

SCHEMBL5876505

Cc1ccc(S(=O)(=O)n2nc(NC3CC3)c3c2CC(c2ccccn2)(c2ccccn2)C=C3)cc1

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.35
ALDH1A1 P00352 4/20 0.34
CCR6 P51684 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
KDM4E B2RXH2 2/20 0.33
CCNA2 P20248 1/20 0.33
CDK2 P24941 1/20 0.33
HSD11B1 P28845 1/20 0.33
NR1H2 P55055 1/20 0.32
NR1H3 Q13133 1/20 0.32
GPR6 P46095 1/20 0.32
GRM4 Q14833 2/20 0.32
POLB P06746 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
SLC9A1 P19634 1/20 0.31
GAA P10253 1/20 0.31
GRM5 P41594 1/20 0.31

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
SCHEMBL5877594 0.96 RAB9A (0.35) RAB9AALDH1A1CCR6SMN1; SMN2KDM4E
SCHEMBL5876223 0.95 SMN1; SMN2 (0.33) RAB9AALDH1A1CCR6SMN1; SMN2KDM4E
SCHEMBL5878049 0.92 SMN1; SMN2 (0.34) RAB9AALDH1A1CCR6SMN1; SMN2KDM4E
SCHEMBL5876342 0.89 CCR6 (0.35) CCR6GPR6MEN1KMT2A
SCHEMBL5876012 0.87 NR1H2 (0.36) ALDH1A1CCR6NR1H2NR1H3GPR6
SCHEMBL5876035 0.86 NR1H2 (0.35) ALDH1A1SMN1; SMN2KDM4EHSD11B1NR1H2
SCHEMBL5876624 0.86 CCR6 (0.33) ALDH1A1CCR6NR1H2NR1H3MEN1
SCHEMBL5877305 0.85 CCR6 (0.35) ALDH1A1CCR6
SCHEMBL5876220 0.85 NR1H2 (0.34) ALDH1A1CCR6NR1H2NR1H3GPR6
SCHEMBL5876928 0.84 CCR6 (0.34) ALDH1A1CCR6KDM4EGPR6POLB

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 RAB9A 2565/4885ALDH1A1 166/4885CCR6 1780/4885

“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.