SCHEMBL16797992

SCHEMBL16797992

COC(=O)c1nn(C)cc1NC(=O)OCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.53
RAB9A P51151 1/20 0.53
SMN1; SMN2 Q16637 2/20 0.51
CNR2 P34972 1/20 0.47
POLB P06746 1/20 0.47
MGLL Q99685 2/20 0.45
FAAH O00519 1/20 0.45
KMT2A Q03164 1/20 0.44
PTGDR2 Q9Y5Y4 1/20 0.43
TACR3 P29371 1/20 0.43
CSNK1D P48730 1/20 0.43
MAOB P27338 1/20 0.43
ATM Q13315 1/20 0.43

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
SCHEMBL16800423 0.84 NPC1 (0.54) NPC1RAB9ASMN1; SMN2POLBMGLL
SCHEMBL21964564 0.79 NPC1 (0.51) NPC1RAB9ASMN1; SMN2POLBMGLL
SCHEMBL5578229 0.77 NPC1 (0.42) NPC1RAB9ASMN1; SMN2POLBMGLL
SCHEMBL10874779 0.76 NPC1 (0.68) NPC1RAB9ASMN1; SMN2POLBKMT2A
SCHEMBL27415197 0.74 SMN1; SMN2 (0.55) NPC1RAB9ASMN1; SMN2POLBMGLL
SCHEMBL22005630 0.74 MAPT (0.51) NPC1RAB9ASMN1; SMN2KMT2AMAOB
SCHEMBL22857997 0.74 CNR2 (0.53) CNR2KMT2APTGDR2
SCHEMBL1490611 0.73 NPC1 (0.57) NPC1RAB9ASMN1; SMN2POLBMGLL
SCHEMBL4493393 0.73 MAPK8 (0.68) NPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL1267682 0.73 SMN1; SMN2 (0.57) NPC1RAB9ASMN1; SMN2POLBMGLL

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-20160362408-A1 ARYL- AND HETARYL-SUBSTITUTED IMIDAZO[1,2-A]PYRIDINE-3-CARBOXAMIDES AND USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-12-15 US disclosed
EP-3077394-A1 ARYL- AND HETARYL-SUBSTITUTED IMIDAZO[1,2-A]PYRIDINE-3-CARBOXAMIDES AND USE THEREOF Bayer Pharma Aktiengesellschaft (DE) 2016-10-12 EP disclosed
WO-2015082411-A1 ARYL- AND HETARYL-SUBSTITUTED IMIDAZO[1,2-A]PYRIDINE-3-CARBOXAMIDES AND USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-06-11 WO disclosed
WO-2015082411-A1 ARYL- AND HETARYL-SUBSTITUTED IMIDAZO[1,2-A]PYRIDINE-3-CARBOXAMIDES AND USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-06-11 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-20160362408-A1 ARYL- AND HETARYL-SUBSTITUTED IMIDAZO[1,2-A]PYRIDINE-3-CARBOXAMIDES AND USE THEREOF AADAC, PAH, CYP2C8 NPC1 740/4885RAB9A 3625/4885SMN1; SMN2 3604/4885

“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.