SCHEMBL12872602

SCHEMBL12872602

CCC(=O)Nc1ccc(-c2nnc3c(C(=O)N[C@H](C(C)=O)C(C)C)cccn23)cc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 9/20 0.48
▸ ALDH1A1 P00352 2/20 0.39
▸ NPC1 O15118 4/20 0.38
▸ RAB9A P51151 3/20 0.38
▸ HSD17B10 Q99714 2/20 0.38
▸ USP2 O75604 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ CASP1 P29466 1/20 0.38
▸ CASP7 P55210 1/20 0.38
▸ POLB P06746 1/20 0.36
▸ AKT1 P31749 1/20 0.36
▸ MEN1 O00255 3/20 0.36
▸ KMT2A Q03164 3/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ RGS12 O14924 1/20 0.35
▸ PIK3CD O00329 1/20 0.35
▸ PIK3CA P42336 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
SCHEMBL1180113 0.93 MAPT (0.48) MAPTALDH1A1NPC1RAB9A
SCHEMBL1180109 0.93 MAPT (0.48) MAPTALDH1A1NPC1RAB9A
SCHEMBL12872658 0.89 KMT2A (0.46) MAPTALDH1A1NPC1RAB9AAKT1
SCHEMBL13665642 0.87 MAPT (0.49) MAPTALDH1A1NPC1RAB9AHSD17B10
SCHEMBL12872575 0.84 CSGALNACT1 (0.51) MAPTALDH1A1NPC1RAB9AMEN1
SCHEMBL12872573 0.84 GPR139 (0.38) MEN1KMT2A
SCHEMBL1180372 0.83 MEN1 (0.46) MAPTALDH1A1NPC1RAB9AAKT1
SCHEMBL1180367 0.83 MEN1 (0.46) MAPTALDH1A1NPC1RAB9AAKT1
SCHEMBL12872776 0.82 MAPT (0.54) MAPTALDH1A1NPC1RAB9AHSD17B10
SCHEMBL1180750 0.79 MAPT (0.51) MAPTALDH1A1NPC1RAB9AHSD17B10

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8324241-B2 Triazolo compounds useful as DGAT1 inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-12-04 — — US disclosed
US-20110034468-A1 TRIAZOLO COMPOUNDS USEFUL AS DGAT1 INHIBITORS BRISTOL-MEYERS SQUIBB COMPANY 2011-02-10 — — 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-20110034468-A1 TRIAZOLO COMPOUNDS USEFUL AS DGAT1 INHIBITORS DGAT1, DGAT2, SOAT1 MAPT 1886/4885ALDH1A1 832/4885NPC1 32/4885

“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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