SCHEMBL6645481

SCHEMBL6645481

Cc1ccc(C(=O)Nc2ccc(N(CCn3cccn3)C(=O)O)nc2)c(OC(C)C)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 2/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
THRB P10828 1/20 0.38
KCNK3 O14649 1/20 0.38
KCNK9 Q9NPC2 1/20 0.38
TP53 P04637 3/20 0.37
MAPT P10636 3/20 0.37
LRRK2 Q5S007 1/20 0.37
AKR1C3 P42330 1/20 0.37
FGFR3 P22607 1/20 0.36
BRPF1 P55201 1/20 0.36
RXFP1 Q9HBX9 2/20 0.36
IDO1 P14902 1/20 0.36
TDO2 P48775 1/20 0.36
LMNA P02545 1/20 0.36
JAK2 O60674 1/20 0.36
JAK1 P23458 1/20 0.36
KDM4E B2RXH2 1/20 0.35
POLB P06746 1/20 0.35

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
SCHEMBL6646010 0.82 MAPT (0.42) NPC1RAB9ATHRBKCNK3KCNK9
SCHEMBL6649330 0.81 THRB (0.37) NPC1RAB9ATHRBKCNK3KCNK9
SCHEMBL6645791 0.80 THRB (0.52) NPC1RAB9ATHRBKCNK3KCNK9
SCHEMBL6649426 0.80 THRB (0.44) THRBKCNK3KCNK9TP53MAPT
SCHEMBL6925229 0.80 HTR2C (0.39) NPC1RAB9ATHRBKCNK3KCNK9
SCHEMBL6925222 0.76 KCNK3 (0.37) NPC1RAB9ATHRBKCNK3KCNK9
SCHEMBL6645956 0.74 BRPF1 (0.36) DGAT1NPC1RAB9ATHRBTP53
SCHEMBL6646119 0.73 THRB (0.40) NPC1RAB9ATHRBRXFP1LMNA
SCHEMBL7201167 0.73 THRB (0.40) NPC1RAB9ATHRBMAPTRXFP1
SCHEMBL6925225 0.71 KCNK3 (0.37) NPC1RAB9AKCNK3KCNK9TP53

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-20040133008-A1 Amide compounds FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-07-08 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-20040133008-A1 Amide compounds APOB, APOL1, LDLR DGAT1 487/4885NPC1 34/4885RAB9A 3028/4885

“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.