SCHEMBL5876012

SCHEMBL5876012

Cc1ccc(S(=O)(=O)n2nc(NC3CC3)c3c2CC(c2ccccc2)(c2ccccc2)C=C3)cc1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.36
NR1H3 Q13133 1/20 0.36
ALDH1A1 P00352 3/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
CYP2C19 P33261 1/20 0.35
GPR6 P46095 2/20 0.34
CCR6 P51684 2/20 0.34
USP2 O75604 1/20 0.34
MAPK1 P28482 1/20 0.34
MMP2 P08253 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
GAA P10253 1/20 0.33
SLC9A1 P19634 1/20 0.33
NPY5R Q15761 1/20 0.33
OXTR P30559 1/20 0.32
MAPT P10636 1/20 0.32
NOD2 Q9HC29 1/20 0.32
NOD1 Q9Y239 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
SCHEMBL5876198 0.96 USP2 (0.37) NR1H2NR1H3ALDH1A1MEN1KMT2A
SCHEMBL5876220 0.95 NR1H2 (0.34) NR1H2NR1H3ALDH1A1MEN1KMT2A
SCHEMBL5876984 0.95 GPR6 (0.35) NR1H2NR1H3ALDH1A1MEN1KMT2A
SCHEMBL5877112 0.93 ALDH1A1 (0.37) NR1H2NR1H3ALDH1A1MEN1KMT2A
SCHEMBL5876144 0.93 CCR6 (0.42) ALDH1A1MEN1KMT2ACYP2C19CCR6
SCHEMBL5876491 0.93 ALDH1A1 (0.39) NR1H2NR1H3ALDH1A1MEN1KMT2A
SCHEMBL5876287 0.92 NR1H2 (0.32) NR1H2NR1H3ALDH1A1MEN1KMT2A
SCHEMBL5877322 0.92 GPR6 (0.36) NR1H2NR1H3ALDH1A1MEN1KMT2A
SCHEMBL5876674 0.92 USP2 (0.35) NR1H2NR1H3ALDH1A1MEN1KMT2A
SCHEMBL5876606 0.92 KMT2A (0.34) NR1H2NR1H3ALDH1A1MEN1KMT2A

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 4 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
EP-1414805-A1 INDAZOLE OR INDOLE DERIVATIVES, THEIR USE IN HUMAN MEDICINE AND MORE PARTICULARLY IN CANCEROLOGY Aventis Pharma S.A. (FR) 2004-05-06 EP disclosed
WO-2003011833-A1 INDAZOLE OR INDOLE DERIVATIVES, THEIR USE IN HUMAN MEDICINE AND MORE PARTICULARLY IN CANCEROLOGY AVENTIS PHARMA S.A. (FR) 2003-02-13 WO 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 456/4885ALDH1A1 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.