SCHEMBL8353449

SCHEMBL8353449

CNC(=O)Cc1ccsc1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.58
TDP1 Q9NUW8 2/20 0.58
NPC1 O15118 2/20 0.58
POLB P06746 3/20 0.54
KMT2A Q03164 2/20 0.52
MEN1 O00255 1/20 0.51
GLS O94925 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.47
ALDH1A1 P00352 1/20 0.47
HTT P42858 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
LMNA P02545 1/20 0.46
TSHR P16473 1/20 0.46
TP53 P04637 1/20 0.46

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
SCHEMBL2569805 0.81 RAB9A (0.51) RAB9ATDP1NPC1POLBKMT2A
SCHEMBL12846059 0.81 TDP1 (0.56) RAB9ATDP1NPC1POLBKMT2A
SCHEMBL28910954 0.81 RAB9A (0.59) RAB9ATDP1NPC1POLBKMT2A
SCHEMBL26333098 0.81 POLB (0.54) RAB9ATDP1NPC1POLBKMT2A
SCHEMBL1129020 0.81 POLB (0.54) RAB9ATDP1NPC1POLBKMT2A
SCHEMBL12669758 0.80 RAB9A (0.54) RAB9ATDP1NPC1POLBKMT2A
SCHEMBL8628722 0.79 POLB (0.49) RAB9ATDP1NPC1POLBKMT2A
SCHEMBL6667847 0.79 TDP1 (0.46) RAB9ATDP1NPC1POLBKMT2A
SCHEMBL10288965 0.79 TDP1 (0.53) RAB9ATDP1NPC1POLBKMT2A
SCHEMBL3590003 0.78 RAB9A (0.51) RAB9ATDP1NPC1POLBKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7943616-B2 Protein kinase inhibitors; astham; psoriasis; antiinflammatory agents; inflammatory bowel disorders AVENTIS PHARMACEUTICALS INC. (US) 2011-05-17 US disclosed
US-7897601-B2 Cannabinoid receptor modulators INTERVET, INC. (US) 2011-03-01 US disclosed
US-7629468-B2 Neuroprotectants, analgesics or anticonvulsants JANSSEN PHARMACEUTICA NV (BE) 2009-12-08 US disclosed
US-7629468-B2 Neuroprotectants, analgesics or anticonvulsants JANSSEN PHARMACEUTICA NV (BE) 2009-12-08 US disclosed
US-7517517-B2 Radiolabelled quinoline and quinolinone derivatives and their use as metabotropic glutamate receptor ligands JANSSEN PHARMACEUTICA N.V. (BE) 2009-04-14 US disclosed
US-7517517-B2 Radiolabelled quinoline and quinolinone derivatives and their use as metabotropic glutamate receptor ligands JANSSEN PHARMACEUTICA N.V. (BE) 2009-04-14 US disclosed
US-20080269251-A1 Substituted Pyrazinone Derivatives as Alpha2C-Adrenoreceptor Antagonists ANDRE-GIL JOSE IGNACIO 2008-10-30 US disclosed
US-20080269251-A1 Substituted Pyrazinone Derivatives as Alpha2C-Adrenoreceptor Antagonists ANDRE-GIL JOSE IGNACIO 2008-10-30 US disclosed
WO-2008092831-A1 PTERIDINONE DERIVATIVES AS PI3-KINASES INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-08-07 WO disclosed
EP-1953163-A1 Pteridinone derivatives as PI3-kinases inhibitors Boehringer Ingelheim Pharma GmbH & Co. KG (DE) 2008-08-06 EP disclosed
WO-2003082350-A2 RADIOLABELLED QUINOLINE AND QUINOLINONE DERIVATIVES AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR LIGANDS JANSSEN PHARMACEUTICA N.V. (BE) 2003-10-09 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-20080269251-A1 Substituted Pyrazinone Derivatives as Alpha2C-Adrenoreceptor Antagonists ADRA2C, ADRB2, ADRA2A RAB9A 2129/4885TDP1 2208/4885NPC1 1637/4885

“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.