SCHEMBL6489646

SCHEMBL6489646

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

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.55
RAB9A P51151 3/20 0.55
CNR1 P21554 1/20 0.50
MAPT P10636 4/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
SMN1; SMN2 Q16637 4/20 0.47
PKM P14618 1/20 0.47
POLB P06746 2/20 0.46
KDM4E B2RXH2 2/20 0.46
HPGD P15428 1/20 0.46
GAA P10253 3/20 0.45
AURKA O14965 2/20 0.45
ACP1 P24666 1/20 0.45
CTNNB1 P35222 1/20 0.44
TCF7L2 Q9NQB0 1/20 0.44
TYK2 P29597 1/20 0.44
CYP3A4 P08684 1/20 0.44
ALDH1A1 P00352 1/20 0.43
LMNA P02545 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
SCHEMBL6499260 0.93 CNR1 (0.50) NPC1RAB9ACNR1MAPTMEN1
SCHEMBL6489529 0.92 AURKA (0.51) NPC1RAB9ACNR1SMN1; SMN2PKM
SCHEMBL6501945 0.92 NPC1 (0.56) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL6491534 0.92 NPC1 (0.56) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL6488474 0.91 CNR1 (0.57) NPC1RAB9ACNR1SMN1; SMN2PKM
SCHEMBL6491596 0.90 NPC1 (0.53) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL6499473 0.88 CTNNB1 (0.53) NPC1RAB9ACNR1SMN1; SMN2KDM4E
SCHEMBL6488828 0.87 CNR1 (0.51) NPC1RAB9ACNR1SMN1; SMN2KDM4E
SCHEMBL6497186 0.87 CNR1 (0.53) NPC1RAB9ACNR1MAPTMEN1
SCHEMBL6793336 0.87 RAB9A (0.65) 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 4382/4885CNR1 102/4885

“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.