SCHEMBL6327445

SCHEMBL6327445

Cc1ccc(-c2sc(-c3ccc(SC(C)(C)C(=O)OC(=O)C(F)(F)F)cc3)nc2C(=O)Nc2ccc(N3CCOCC3)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 9/20 0.44
▸ ALDH1A1 P00352 6/20 0.44
▸ RAB9A P51151 4/20 0.44
▸ NPC1 O15118 3/20 0.44
▸ TP53 P04637 2/20 0.44
▸ MAPK1 P28482 2/20 0.44
▸ PKM P14618 2/20 0.44
▸ DGAT1 O75907 1/20 0.41
▸ LMNA P02545 3/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ RGS12 O14924 1/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ MITF O75030 2/20 0.39
▸ NPSR1 Q6W5P4 2/20 0.39
▸ XBP1 P17861 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ UBE2N P61088 1/20 0.39
▸ TLR9 Q9NR96 1/20 0.39
▸ TDP1 Q9NUW8 2/20 0.39

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
SCHEMBL6328366 0.93 MAPT (0.41) MAPTALDH1A1RAB9ANPC1TP53
SCHEMBL6332860 0.93 MAPT (0.43) MAPTALDH1A1RAB9ANPC1DGAT1
SCHEMBL6325796 0.92 MAPT (0.41) MAPTALDH1A1RAB9ANPC1TP53
Trifluoroacetic Acid SCHEMBL6327439 0.90 NPC1 (0.46) MAPTALDH1A1RAB9ANPC1TP53
SCHEMBL6334769 0.86 DGAT1 (0.45) MAPTALDH1A1RAB9ANPC1DGAT1
SCHEMBL5727205 0.85 DGAT1 (0.46) MAPTALDH1A1RAB9ANPC1TP53
SCHEMBL6326588 0.84 DGAT1 (0.49) MAPTALDH1A1RAB9ANPC1TP53
Trifluoroacetic Acid SCHEMBL6332856 0.84 DGAT1 (0.43) MAPTALDH1A1RAB9ANPC1DGAT1
Trifluoroacetic Acid SCHEMBL6328364 0.83 DGAT1 (0.44) MAPTALDH1A1RAB9ANPC1TP53
Trifluoroacetic Acid SCHEMBL6325794 0.82 NPC1 (0.42) MAPTALDH1A1RAB9ANPC1TP53

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 MAPT 3022/4885ALDH1A1 991/4885RAB9A 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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