SCHEMBL12465253

SCHEMBL12465253

Cc1ccc(NC(=O)OCc2ccccc2)cc1N=O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 3/20 0.56
NPC1 O15118 2/20 0.56
RAB9A P51151 2/20 0.56
TP53 P04637 2/20 0.54
MAPT P10636 2/20 0.54
ALDH1A1 P00352 1/20 0.54
TSHR P16473 1/20 0.54
ATM Q13315 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
POLB P06746 1/20 0.52
ENPP2 Q13822 2/20 0.51
ROCK2 O75116 1/20 0.50
SCD O00767 1/20 0.49
PTPN1 P18031 1/20 0.48
KDM1A O60341 1/20 0.48
MAOA P21397 1/20 0.48
MAOB P27338 1/20 0.48
BLK P51451 1/20 0.48
BTK Q06187 1/20 0.48
PTGDR2 Q9Y5Y4 1/20 0.47

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
SCHEMBL24423488 0.91 MGLL (0.58) MGLLNPC1RAB9ATP53MAPT
SCHEMBL13960363 0.85 MGLL (0.52) MGLLNPC1RAB9ATP53MAPT
SCHEMBL11766069 0.83 NPC1 (0.72) MGLLNPC1RAB9ATP53MAPT
SCHEMBL12325529 0.82 MGLL (0.59) MGLLNPC1RAB9ATP53MAPT
SCHEMBL12583048 0.82 NPC1 (0.62) MGLLNPC1RAB9ATP53MAPT
SCHEMBL591401 0.82 MGLL (0.59) MGLLNPC1RAB9ATP53MAPT
SCHEMBL25856302 0.82 MAPT (0.60) MGLLNPC1RAB9ATP53MAPT
SCHEMBL3175561 0.80 MGLL (0.60) MGLLNPC1RAB9ATP53MAPT
SCHEMBL29954425 0.80 MGLL (0.56) MGLLNPC1RAB9ATP53MAPT
SCHEMBL5852207 0.78 POLB (0.68) MGLLNPC1RAB9ATP53MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110183952-A1 NEW CHEMICAL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-07-28 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-20110183952-A1 NEW CHEMICAL COMPOUNDS MKI67, CCNA1, CCNT1 MGLL 3788/4885NPC1 70/4885RAB9A 812/4885

“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.