SCHEMBL6833103

SCHEMBL6833103

COc1ccc2nc(Nc3ccc(-c4ccccc4C(=O)[C@@H]4CCC[C@H]4C(=O)O)cc3F)sc2c1

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 3/20 0.64
NPC1 O15118 7/20 0.49
RAB9A P51151 7/20 0.49
KMT2A Q03164 6/20 0.48
MEN1 O00255 5/20 0.48
POLB P06746 2/20 0.48
ITK Q08881 3/20 0.46
MAPT P10636 4/20 0.45
NFKB1 P19838 3/20 0.45
NFKB2 Q00653 3/20 0.45
RELA Q04206 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
GFER P55789 1/20 0.45
SCD O00767 2/20 0.44
LMNA P02545 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
HCRTR1 O43613 2/20 0.43
HCRTR2 O43614 2/20 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
SCHEMBL2306421 0.87 DGAT1 (0.82) DGAT1NPC1RAB9AKMT2AMEN1
SCHEMBL1747992 0.87 DGAT1 (0.82) DGAT1NPC1RAB9AKMT2AMEN1
SCHEMBL2306998 0.87 DGAT1 (0.82) DGAT1NPC1RAB9AKMT2AMEN1
SCHEMBL2393849 0.84 DGAT1 (0.77) DGAT1NPC1RAB9AKMT2AMEN1
SCHEMBL2308612 0.84 DGAT1 (0.77) DGAT1NPC1RAB9AKMT2AMEN1
SCHEMBL2306561 0.79 DGAT1 (0.69) DGAT1NPC1RAB9AKMT2AMEN1
SCHEMBL2312049 0.79 DGAT1 (0.69) DGAT1NPC1RAB9AKMT2AMEN1
Bicarbonate SCHEMBL2308618 0.79 DGAT1 (0.67) DGAT1NPC1RAB9AKMT2AMEN1
SCHEMBL2307191 0.79 DGAT1 (0.82) DGAT1NPC1RAB9APOLBSCD
SCHEMBL2396211 0.79 DGAT1 (0.82) DGAT1NPC1RAB9APOLBSCD

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-20040224997-A1 Preparation and use of aryl alkyl acid derivatives for the treatment of obesity BAYER PHARMACEUTICALS CORPORATION 2004-11-11 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-20040224997-A1 Preparation and use of aryl alkyl acid derivatives for the treatment of obesity FABP4, GPR119, LIPC DGAT1 34/4885NPC1 187/4885RAB9A 2066/4885

“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.