SCHEMBL2086833

SCHEMBL2086833

COc1cccc(NC(=O)/C(C#N)=C/c2cn(CC(=O)O)c3ccccc23)c1

nearest known ligand 0.84

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.84
KMT2A Q03164 7/20 0.84
USP2 O75604 1/20 0.84
POLB P06746 1/20 0.84
ALDH1A1 P00352 2/20 0.79
MAPT P10636 6/20 0.77
PTGDR2 Q9Y5Y4 4/20 0.77
KDM4E B2RXH2 1/20 0.77
SMN1; SMN2 Q16637 3/20 0.76
TP53 P04637 1/20 0.76
SLC16A1 P53985 3/20 0.75
ABCB1 P08183 2/20 0.75
ABCC1 P33527 1/20 0.75
GAA P10253 1/20 0.66
THRB P10828 1/20 0.59

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
SCHEMBL2086836 1.00 MEN1 (0.84) MEN1KMT2AUSP2POLBALDH1A1
SCHEMBL5533347 0.93 MEN1 (0.73) MEN1KMT2AUSP2POLBALDH1A1
SCHEMBL5533349 0.93 MEN1 (0.73) MEN1KMT2AUSP2POLBALDH1A1
SCHEMBL2087919 0.93 MEN1 (0.77) MEN1KMT2AUSP2POLBALDH1A1
SCHEMBL2087921 0.93 MEN1 (0.77) MEN1KMT2AUSP2POLBALDH1A1
SCHEMBL2087549 0.92 MEN1 (0.82) MEN1KMT2AUSP2POLBALDH1A1
SCHEMBL2087550 0.92 MEN1 (0.82) MEN1KMT2AUSP2POLBALDH1A1
SCHEMBL2085636 0.91 MEN1 (1.00) MEN1KMT2AUSP2POLBALDH1A1
SCHEMBL2085638 0.91 MEN1 (1.00) MEN1KMT2AUSP2POLBALDH1A1
SCHEMBL2089221 0.90 MEN1 (0.83) MEN1KMT2AUSP2POLBALDH1A1

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7897788-B2 Indol-1-yl-acetic acid derivatives ACTELION PHARMACEUTICAL LTD. (CH) 2011-03-01 US claimed
EP-1740171-B1 INDOL-1-YL-ACETIC ACID DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2010-06-09 EP claimed
US-20070208004-A1 Indol-1-yl-acetic acid derivatives ACTELION PHARMACEUTICALS, LTD. (CH) 2007-09-06 US claimed
EP-1740171-A1 INDOL-1-YL-ACETIC ACID DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2007-01-10 EP claimed
WO-2005094816-A1 INDOL-1-YL-ACETIC ACID DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2005-10-13 WO claimed
US-7897788-B2 Indol-1-yl-acetic acid derivatives ACTELION PHARMACEUTICAL LTD. (CH) 2011-03-01 US disclosed
EP-1740171-B1 INDOL-1-YL-ACETIC ACID DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2010-06-09 EP disclosed
US-20070208004-A1 Indol-1-yl-acetic acid derivatives ACTELION PHARMACEUTICALS, LTD. (CH) 2007-09-06 US disclosed
EP-1740171-A1 INDOL-1-YL-ACETIC ACID DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2007-01-10 EP disclosed
WO-2005094816-A1 INDOL-1-YL-ACETIC ACID DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2005-10-13 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-20070208004-A1 Indol-1-yl-acetic acid derivatives IDO1, IDO2, AANAT MEN1 2045/4885KMT2A 1575/4885USP2 2442/4885

“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.