SCHEMBL4887228

SCHEMBL4887228

COc1cccc(C(=O)N/N=C(\C=N\O)c2ccccc2)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.57
RAB9A P51151 4/20 0.57
SMN1; SMN2 Q16637 4/20 0.57
KMT2A Q03164 4/20 0.57
LMNA P02545 2/20 0.57
HTT P42858 2/20 0.57
NPSR1 Q6W5P4 2/20 0.57
MITF O75030 1/20 0.57
AGTR1 P30556 1/20 0.57
OPRK1 P41145 1/20 0.57
MEN1 O00255 3/20 0.52
KCNK3 O14649 1/20 0.52
KCNK9 Q9NPC2 1/20 0.52
NLRP3 Q96P20 1/20 0.51
TSHR P16473 1/20 0.50
ALDH1A1 P00352 1/20 0.50
MAPT P10636 1/20 0.50
POLB P06746 2/20 0.49
RXFP1 Q9HBX9 1/20 0.49
EGFR P00533 1/20 0.48

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
SCHEMBL4887230 1.00 NPC1 (0.57) NPC1RAB9ASMN1; SMN2KMT2ALMNA
SCHEMBL4881965 0.95 NPC1 (0.57) NPC1RAB9ASMN1; SMN2KMT2ALMNA
SCHEMBL4881966 0.95 NPC1 (0.57) NPC1RAB9ASMN1; SMN2KMT2ALMNA
SCHEMBL4882768 0.88 LMNA (0.52) NPC1RAB9ASMN1; SMN2KMT2ALMNA
SCHEMBL4882773 0.88 LMNA (0.52) NPC1RAB9ASMN1; SMN2KMT2ALMNA
SCHEMBL4882658 0.87 RAB9A (0.62) NPC1RAB9ASMN1; SMN2KMT2ALMNA
SCHEMBL4928558 0.87 RAB9A (0.62) NPC1RAB9ASMN1; SMN2KMT2ALMNA
SCHEMBL4928562 0.87 RAB9A (0.62) NPC1RAB9ASMN1; SMN2KMT2ALMNA
SCHEMBL4882668 0.87 RAB9A (0.62) NPC1RAB9ASMN1; SMN2KMT2ALMNA
SCHEMBL4879029 0.84 KDM4E (0.62) NPC1RAB9ASMN1; SMN2KMT2ALMNA

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 3811/4885SMN1; SMN2 3659/4885

“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.