SCHEMBL6501945

SCHEMBL6501945

COc1ccc(-c2ccc(F)cc2)c(C(=O)Nc2ccc(NCCc3ccccn3)cc2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.56
RAB9A P51151 2/20 0.56
MAPT P10636 7/20 0.48
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
SYK P43405 3/20 0.48
GAA P10253 5/20 0.46
KDM4E B2RXH2 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
HTT P42858 1/20 0.46
POLB P06746 1/20 0.46
ACP1 P24666 1/20 0.46
STIM1 Q13586 1/20 0.46
ORAI1 Q96D31 1/20 0.46
MAOB P27338 1/20 0.45
PKM P14618 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
CTNNB1 P35222 1/20 0.45
TCF7L2 Q9NQB0 1/20 0.45
IRAK4 Q9NWZ3 1/20 0.44

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
SCHEMBL6490703 0.93 NPC1 (0.48) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL6491534 0.93 NPC1 (0.56) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL6489646 0.92 NPC1 (0.55) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL6489399 0.92 NPC1 (0.47) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL6491596 0.90 NPC1 (0.53) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL6487583 0.90 HTT (0.52) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL6490637 0.88 CTNNB1 (0.54) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL6793336 0.88 RAB9A (0.65) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL6490335 0.87 CNR1 (0.52) MAPTMEN1KMT2AGAAKDM4E
SCHEMBL6487331 0.86 MEN1 (0.49) NPC1RAB9AMAPTMEN1KMT2A

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 4382/4885MAPT 4202/4885

“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.