SCHEMBL4881966

SCHEMBL4881966

COc1cccc(C(C=NO)=NNC(=O)c2ccccc2)c1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.57
RAB9A P51151 6/20 0.57
NLRP3 Q96P20 1/20 0.54
SMN1; SMN2 Q16637 4/20 0.54
KMT2A Q03164 4/20 0.54
HTT P42858 3/20 0.54
LMNA P02545 2/20 0.54
MITF O75030 1/20 0.54
AGTR1 P30556 1/20 0.54
OPRK1 P41145 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
ALDH1A1 P00352 2/20 0.53
MAPT P10636 2/20 0.53
KCNK3 O14649 1/20 0.52
KCNK9 Q9NPC2 1/20 0.52
KDM4E B2RXH2 1/20 0.50
MEN1 O00255 3/20 0.49
PGR P06401 1/20 0.49
TRPV1 Q8NER1 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
SCHEMBL4881965 1.00 NPC1 (0.57) NPC1RAB9ANLRP3SMN1; SMN2KMT2A
SCHEMBL4887230 0.95 NPC1 (0.57) NPC1RAB9ANLRP3SMN1; SMN2KMT2A
SCHEMBL4887228 0.95 NPC1 (0.57) NPC1RAB9ANLRP3SMN1; SMN2KMT2A
SCHEMBL4882773 0.88 LMNA (0.52) NPC1RAB9ASMN1; SMN2KMT2AHTT
SCHEMBL4882768 0.88 LMNA (0.52) NPC1RAB9ASMN1; SMN2KMT2AHTT
SCHEMBL4928558 0.87 RAB9A (0.62) NPC1RAB9ASMN1; SMN2KMT2AHTT
SCHEMBL4882658 0.87 RAB9A (0.62) NPC1RAB9ASMN1; SMN2KMT2AHTT
SCHEMBL4928562 0.87 RAB9A (0.62) NPC1RAB9ASMN1; SMN2KMT2AHTT
SCHEMBL4882668 0.87 RAB9A (0.62) NPC1RAB9ASMN1; SMN2KMT2AHTT
SCHEMBL5715919 0.82 NPC1 (0.53) NPC1RAB9ASMN1; SMN2KMT2AAGTR1

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-20080227787-A1 Use of New Lipoxygenase Inhibitors BIOLIPOX AB (SE) 2008-09-18 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-20080227787-A1 Use of New Lipoxygenase Inhibitors ALOX15, ALOX15B, ALOX12 NPC1 2644/4885RAB9A 3811/4885NLRP3 677/4885

“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.