SCHEMBL12872641

SCHEMBL12872641

CCC(CC)NC(=O)c1cccn2c(-c3ccc(NC(=O)Cc4ccccc4)cc3)nnc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 5/20 0.48
▸ KMT2A Q03164 5/20 0.48
▸ ALDH1A1 P00352 3/20 0.48
▸ KDM4E B2RXH2 3/20 0.48
▸ MAPT P10636 3/20 0.43
▸ RAB9A P51151 4/20 0.42
▸ NPC1 O15118 3/20 0.42
▸ EIF2S1 P05198 1/20 0.41
▸ EIF2AK3 Q9NZJ5 1/20 0.41
▸ SMN1; SMN2 Q16637 3/20 0.40
▸ HPGD P15428 1/20 0.40
▸ WNT3A P56704 1/20 0.40
▸ AKT1 P31749 1/20 0.40
▸ RORC P51449 1/20 0.40
▸ EPHX2 P34913 1/20 0.40
▸ ADORA2B P29275 1/20 0.40
▸ RGS12 O14924 1/20 0.39
▸ HDAC3 O15379 1/20 0.39
▸ HDAC1 Q13547 1/20 0.39
▸ HDAC2 Q92769 1/20 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
SCHEMBL1180677 0.95 MEN1 (0.46) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL1180372 0.87 MEN1 (0.46) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL1180367 0.87 MEN1 (0.46) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL12872658 0.86 KMT2A (0.46) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL1179590 0.85 ALDH1A1 (0.55) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL13665642 0.80 MAPT (0.49) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL1180113 0.79 MAPT (0.48) ALDH1A1MAPTRAB9ANPC1
SCHEMBL1180109 0.79 MAPT (0.48) ALDH1A1MAPTRAB9ANPC1
SCHEMBL12872776 0.77 MAPT (0.54) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL12872602 0.77 MAPT (0.48) MEN1KMT2AALDH1A1KDM4EMAPT

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 MEN1 4094/4885KMT2A 1596/4885ALDH1A1 832/4885

“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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