SCHEMBL6334769

SCHEMBL6334769

Cc1cc(SC(C)(C)C(=O)OC(=O)C(F)(F)F)ccc1-c1nc(C(=O)Nc2ccc(N3CCOCC3)cc2)c(-c2ccccc2)s1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DGAT1 O75907 4/20 0.45
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ MAPT P10636 3/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ CHRNA7 P36544 2/20 0.40
▸ POLB P06746 2/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ HCRTR1 O43613 1/20 0.39
▸ BTK Q06187 4/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ RGS12 O14924 1/20 0.38
▸ ATR Q13535 2/20 0.38
▸ RAF1 P04049 1/20 0.37

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
SCHEMBL6325796 0.94 MAPT (0.41) DGAT1NPC1RAB9AMAPTCHRNA7
Trifluoroacetic Acid SCHEMBL6334767 0.92 DGAT1 (0.47) DGAT1NPC1RAB9AMAPTCYP1A2
Trifluoroacetic Acid SCHEMBL6325794 0.87 NPC1 (0.42) DGAT1NPC1RAB9AMAPTCYP1A2
SCHEMBL6327445 0.86 MAPT (0.44) DGAT1NPC1RAB9AMAPTCHRNA7
SCHEMBL6328366 0.84 MAPT (0.41) DGAT1NPC1RAB9AMAPTALDH1A1
SCHEMBL6332860 0.83 MAPT (0.43) DGAT1NPC1RAB9AMAPTCYP3A4
SCHEMBL5727205 0.81 DGAT1 (0.46) DGAT1NPC1RAB9AMAPTCYP1A2
SCHEMBL6326588 0.80 DGAT1 (0.49) DGAT1NPC1RAB9AMAPTCYP1A2
SCHEMBL6333109 0.79 DGAT1 (0.49) DGAT1NPC1RAB9AMAPTCYP1A2
SCHEMBL6326610 0.79 DGAT1 (0.47) DGAT1NPC1RAB9AMAPTCYP1A2

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-20050014805-A1 Phenyl substituted 5-membered nitrogen containing heterocycles for the treatment of obesity BAYER PHARMACEUTICALS CORPORATION 2005-01-20 — — 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-20050014805-A1 Phenyl substituted 5-membered nitrogen containing heterocycles for the treatment of obesity GPR119, EGLN3, PC DGAT1 386/4885NPC1 315/4885RAB9A 2132/4885

“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.

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