SCHEMBL3203105

SCHEMBL3203105

CCCCNC(=O)c1sc(-c2ccc(NC(=O)NCC)nc2)nc1C(=O)N(C)C

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
EPHX2 P34913 1/20 0.44
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ABL1 P00519 1/20 0.39
PIM1 P11309 1/20 0.39
MAPK1 P28482 1/20 0.39
AURKB Q96GD4 1/20 0.39

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
SCHEMBL12708361 0.94 ABL1 (0.40) NPC1RAB9AABL1PIM1MAPK1
SCHEMBL3191240 0.93 NPC1 (0.45) NPC1RAB9AEPHX2HTTSMN1; SMN2
SCHEMBL3211458 0.93 ABL1 (0.42) NPC1ABL1PIM1MAPK1AURKB
SCHEMBL14189466 0.89 NPC1 (0.47) NPC1RAB9AEPHX2HTTSMN1; SMN2
SCHEMBL1552950 0.89 MAPK1 (0.44) ABL1PIM1MAPK1AURKB
SCHEMBL12707834 0.88 ABL1 (0.41) NPC1RAB9AABL1PIM1MAPK1
SCHEMBL3203036 0.87 NPC1 (0.47) NPC1RAB9AEPHX2HTTSMN1; SMN2
SCHEMBL1553754 0.87 MAPK1 (0.42) ABL1PIM1MAPK1AURKB
SCHEMBL1553494 0.86 MAPK1 (0.39) ABL1PIM1MAPK1AURKB
SCHEMBL12708358 0.86 MAPK1 (0.41) ABL1PIM1MAPK1AURKB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2102199-B1 ANTIBACTERIAL POLYCYCLIC UREA COMPOUNDS ASTRAZENECA AB (SE) 2011-04-27 EP disclosed
US-7674801-B2 Alkyl urea substituted pyridines ASTRAZENECA AB (SE) 2010-03-09 US disclosed
US-7674801-B2 Alkyl urea substituted pyridines ASTRAZENECA AB (SE) 2010-03-09 US disclosed
US-7674801-B2 Alkyl urea substituted pyridines ASTRAZENECA AB (SE) 2010-03-09 US disclosed
US-20080132546-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2008-06-05 US disclosed
US-20080132546-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2008-06-05 US disclosed
US-20080132546-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2008-06-05 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-20080132546-A1 CHEMICAL COMPOUNDS MRPL21, NISCH, ABCB11 NPC1 207/4885RAB9A 1867/4885EPHX2 2891/4885

“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.