SCHEMBL5876035

SCHEMBL5876035

Cc1ccc(S(=O)(=O)n2nc(Nc3ccccc3)c3c2CC(c2ccccn2)(c2ccccn2)C=C3)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.35
NR1H3 Q13133 1/20 0.35
GRM4 Q14833 2/20 0.34
ALDH1A1 P00352 4/20 0.34
KDM4E B2RXH2 3/20 0.34
POLB P06746 1/20 0.34
GAA P10253 3/20 0.33
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
HSD11B1 P28845 1/20 0.33
IKBKB O14920 2/20 0.32
CHUK O15111 2/20 0.32
SLC9A1 P19634 1/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
METAP1 P53582 1/20 0.32
GRM5 P41594 1/20 0.32
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
HTT P42858 1/20 0.31
NPSR1 Q6W5P4 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
SCHEMBL5877823 0.96 NR1H2 (0.33) NR1H2NR1H3GRM4ALDH1A1KDM4E
SCHEMBL5877005 0.90 NR1H2 (0.33) NR1H2NR1H3ALDH1A1KDM4EGAA
SCHEMBL5875996 0.88 NR1H2 (0.38) NR1H2NR1H3ALDH1A1KDM4EGAA
SCHEMBL5876505 0.86 RAB9A (0.35) NR1H2NR1H3GRM4ALDH1A1KDM4E
SCHEMBL5877420 0.86 NR1H2 (0.32) NR1H2NR1H3GAAMEN1KMT2A
SCHEMBL5876253 0.86 NR1H2 (0.35) NR1H2NR1H3ALDH1A1KDM4EGAA
SCHEMBL5877764 0.85 NR1H2 (0.35) NR1H2NR1H3ALDH1A1KDM4EGAA
SCHEMBL5877594 0.85 RAB9A (0.35) NR1H2NR1H3GRM4ALDH1A1KDM4E
SCHEMBL5876433 0.84 POLB (0.36) NR1H2NR1H3ALDH1A1POLBGAA
SCHEMBL5878190 0.84 ALDH1A1 (0.39) NR1H2NR1H3ALDH1A1KDM4EPOLB

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 NR1H2 556/4885NR1H3 456/4885GRM4 4364/4885

“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.