SCHEMBL5877322

SCHEMBL5877322

Cc1ccc(S(=O)(=O)n2nc(NC3CC3)c3c2CC(c2ccccc2)(c2cccc(F)c2)C=C3)cc1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GPR6 P46095 3/20 0.36
KMT2A Q03164 6/20 0.35
NR1H2 P55055 1/20 0.32
NR1H3 Q13133 1/20 0.32
MEN1 O00255 3/20 0.32
ALDH1A1 P00352 1/20 0.31
PIM1 P11309 1/20 0.31
NPY5R Q15761 1/20 0.31
CYP2C19 P33261 1/20 0.31
USP2 O75604 1/20 0.31
MAPK1 P28482 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.30
HTT P42858 1/20 0.30
CCR6 P51684 1/20 0.30

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
SCHEMBL5876629 0.97 KMT2A (0.36) GPR6KMT2AMEN1ALDH1A1PIM1
SCHEMBL5876321 0.97 KMT2A (0.34) GPR6KMT2ANR1H2NR1H3MEN1
SCHEMBL5876550 0.94 KMT2A (0.35) GPR6KMT2AMEN1ALDH1A1CYP2C19
SCHEMBL5876984 0.93 GPR6 (0.35) GPR6KMT2ANR1H2NR1H3MEN1
SCHEMBL5876012 0.92 NR1H2 (0.36) GPR6KMT2ANR1H2NR1H3MEN1
SCHEMBL5876606 0.91 KMT2A (0.34) GPR6KMT2ANR1H2NR1H3MEN1
SCHEMBL5876201 0.89 USP2 (0.34) GPR6KMT2ANR1H2NR1H3MEN1
SCHEMBL5876040 0.89 KMT2A (0.36) GPR6KMT2AMEN1CCR6
SCHEMBL5876198 0.89 USP2 (0.37) KMT2ANR1H2NR1H3MEN1ALDH1A1
SCHEMBL5877462 0.89 CCR6 (0.37) KMT2AMEN1ALDH1A1PIM1CYP2C19

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 GPR6 986/4885KMT2A 2326/4885NR1H2 556/4885

“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.