SCHEMBL6488096

SCHEMBL6488096

COc1cc(C(=O)Nc2ccc(NCCc3ccccn3)cc2)c(-c2ccc(C)cc2)cc1OC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.49
RAB9A P51151 3/20 0.49
IRAK4 Q9NWZ3 1/20 0.47
KMT2A Q03164 3/20 0.46
POLB P06746 2/20 0.46
MEN1 O00255 2/20 0.46
AHR P35869 1/20 0.46
SYK P43405 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
ALDH1A1 P00352 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.44
RXFP1 Q9HBX9 2/20 0.44
HPGD P15428 1/20 0.44
MAPK1 P28482 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
PGK1 P00558 1/20 0.44
HTT P42858 1/20 0.44
KDM4E B2RXH2 1/20 0.43
CTNNB1 P35222 1/20 0.43
TCF7L2 Q9NQB0 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
SCHEMBL6501173 0.90 SMO (0.49) NPC1RAB9AIRAK4MAPT
SCHEMBL6490460 0.89 L3MBTL1 (0.47) NPC1RAB9AKMT2AMEN1L3MBTL1
SCHEMBL6491534 0.88 NPC1 (0.56) NPC1RAB9AKMT2APOLBMEN1
SCHEMBL6489521 0.88 SMN1; SMN2 (0.49) NPC1RAB9AKMT2APOLBMEN1
SCHEMBL6489227 0.88 CTNNB1 (0.48) NPC1RAB9AKMT2AL3MBTL1SMN1; SMN2
SCHEMBL6501333 0.86 RAB9A (0.59) NPC1RAB9AKMT2APOLBMEN1
SCHEMBL6787263 0.85 HTT (0.49) NPC1RAB9AKMT2AMEN1L3MBTL1
SCHEMBL6501798 0.85 NPC1 (0.49) NPC1RAB9AIRAK4KMT2APOLB
SCHEMBL6496376 0.85 CNR1 (0.51) NPC1RAB9AL3MBTL1SMN1; SMN2HPGD
SCHEMBL6502209 0.85 CTNNB1 (0.50) NPC1RAB9AKMT2AMEN1L3MBTL1

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-20050038035-A1 Heterocyclic amide compounds as apolipoprotein b inhibitors DAISO CO., LTD. (JP) 2005-02-17 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-20050038035-A1 Heterocyclic amide compounds as apolipoprotein b inhibitors APOB, APOL1, CTRB2 NPC1 100/4885RAB9A 4382/4885IRAK4 2963/4885

“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.