SCHEMBL1179590

SCHEMBL1179590

O=C(Cc1ccccc1)Nc1ccc(-c2nnc3c(C(=O)O)cccn23)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.55
▸ KDM4E B2RXH2 6/20 0.55
▸ MEN1 O00255 5/20 0.55
▸ KMT2A Q03164 5/20 0.55
▸ RAB9A P51151 5/20 0.49
▸ NPC1 O15118 4/20 0.49
▸ EPHX2 P34913 1/20 0.48
▸ MAPT P10636 3/20 0.47
▸ HSD17B10 Q99714 2/20 0.47
▸ AKT1 P31749 1/20 0.46
▸ SMN1; SMN2 Q16637 4/20 0.45
▸ LMNA P02545 1/20 0.45
▸ CYP2C9 P11712 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ CACNA1B Q00975 1/20 0.44
▸ APBA1 Q02410 1/20 0.44
▸ PRMT1 Q99873 1/20 0.44
▸ WNT3A P56704 1/20 0.44
▸ NR4A1 P22736 1/20 0.44

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
SCHEMBL12872776 0.86 MAPT (0.54) ALDH1A1KDM4EMEN1KMT2ARAB9A
SCHEMBL12872641 0.85 MEN1 (0.48) ALDH1A1KDM4EMEN1KMT2ARAB9A
SCHEMBL1180367 0.84 MEN1 (0.46) ALDH1A1KDM4EMEN1KMT2ARAB9A
SCHEMBL1180372 0.84 MEN1 (0.46) ALDH1A1KDM4EMEN1KMT2ARAB9A
SCHEMBL1180677 0.83 MEN1 (0.46) ALDH1A1KDM4EMEN1KMT2ARAB9A
SCHEMBL12872658 0.83 KMT2A (0.46) ALDH1A1KDM4EMEN1KMT2ARAB9A
SCHEMBL1180453 0.81 HPGD (0.41) ALDH1A1KDM4EMEN1KMT2ARAB9A
SCHEMBL12872726 0.79 ITGB1 (0.48) MEN1KMT2ARAB9ANPC1MAPT
SCHEMBL1179762 0.77 BRD9 (0.44) —
SCHEMBL1180750 0.75 MAPT (0.51) ALDH1A1KDM4EMEN1KMT2ARAB9A

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 8 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-8324241-B2 Triazolo compounds useful as DGAT1 inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-12-04 — — US disclosed
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
US-20110034468-A1 TRIAZOLO COMPOUNDS USEFUL AS DGAT1 INHIBITORS BRISTOL-MEYERS SQUIBB COMPANY 2011-02-10 — — US disclosed
US-20110034468-A1 TRIAZOLO COMPOUNDS USEFUL AS DGAT1 INHIBITORS BRISTOL-MEYERS SQUIBB COMPANY 2011-02-10 — — US disclosed
WO-2009126624-A1 TRIAZOLO COMPOUNDS USEFUL AS DGAT1 INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2009-10-15 — — WO disclosed
WO-2009126624-A1 TRIAZOLO COMPOUNDS USEFUL AS DGAT1 INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2009-10-15 — — WO 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 ALDH1A1 832/4885KDM4E 4232/4885MEN1 4094/4885

“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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