SCHEMBL11897129

SCHEMBL11897129

O=C1Nc2ccccc2C1C1(c2c[nH]c3ccccc23)C(=O)Nc2ccccc21

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 5/20 0.56
MGAM O43451 4/20 0.56
SI P14410 4/20 0.56
MGAM2 Q2M2H8 4/20 0.56
HTR1A P08908 1/20 0.44
HTR2A P28223 1/20 0.44
HTR7 P34969 1/20 0.44
HTR6 P50406 1/20 0.44
IDO1 P14902 3/20 0.40
LMNA P02545 1/20 0.40
PIM1 P11309 1/20 0.40
TP53 P04637 1/20 0.39
CCKBR P32239 2/20 0.35
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
PDK2 Q15119 1/20 0.34
PDK4 Q16654 1/20 0.34

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
SCHEMBL11897128 0.79 GAA (0.54) GAAMGAMSIMGAM2HTR1A
SCHEMBL17867081 0.76 GAA (0.45) GAAMGAMSIMGAM2HTR1A
SCHEMBL11897095 0.76 MGAM (0.44) GAAMGAMSIMGAM2HTR1A
SCHEMBL30870404 0.73 MGAM (1.00) GAAMGAMSIMGAM2HTR1A
SCHEMBL20550167 0.73 MGAM (1.00) GAAMGAMSIMGAM2HTR1A
SCHEMBL29628076 0.71 PIM1 (0.71) GAAMGAMSIMGAM2HTR1A
SCHEMBL5435863 0.71 PIM1 (0.71) GAAMGAMSIMGAM2HTR1A
SCHEMBL29365030 0.69 IDO1 (0.60) GAAIDO1LMNAALDH1A1PDK2
SCHEMBL15499981 0.69 PDK2 (0.50) GAAIDO1LMNAALDH1A1MAPT
SCHEMBL29439898 0.69 GAA (0.55) GAAMGAMSIMGAM2HTR2A

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
EP-2650274-B1 A thionation process and a thionating agent VIRONOVA THIONATION AB (SE) 2019-05-01 EP disclosed
US-9221855-B2 Thionation process and a thionating agent VIRONOVA THIONATION AB (SE) 2015-12-29 US disclosed
US-9115158-B2 Thionating agent VIRONOVA THIONATION AB (SE) 2015-08-25 US disclosed
US-20130303767-A1 THIONATING AGENT VIRONOVA THIONATION AB (SE) 2013-11-14 US disclosed
EP-2569263-B1 A THIONATION PROCESS AND A THIONATING AGENT VIRONOVA AB (SE) 2013-11-13 EP disclosed
EP-2650274-A2 A thionation process and a thionating agent Vironova AB (SE) 2013-10-16 EP disclosed
US-20130102774-A1 THIONATION PROCESS AND A THIONATING AGENT VIRONOVA AB (SE) 2013-04-25 US disclosed
EP-2569263-A1 A THIONATION PROCESS AND A THIONATING AGENT Vironova AB (SE) 2013-03-20 EP disclosed
WO-2012104415-A1 A THIONATION PROCESS AND A THIONATING AGENT VIRONOVA AB (SE) 2012-08-09 WO disclosed
EP-2484655-A1 A thionation process and a thionating agent Vironova AB (SE) 2012-08-08 EP 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 (2 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-20130102774-A1 THIONATION PROCESS AND A THIONATING AGENT NT5M, NT5E, NUDT5 GAA 4143/4885MGAM 2016/4885SI 1831/4885
US-20130303767-A1 THIONATING AGENT NT5E, NT5C2, NUDT5 GAA 4042/4885MGAM 2542/4885SI 2536/4885

“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.