SCHEMBL10185116

SCHEMBL10185116

O=C(NCCNC(=O)c1cc2cccnc2s1)c1ccc(O[C@H]2CC[C@@H](C(=O)O)CC2)cc1

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ DGAT1 O75907 7/20 0.47
▸ RAB9A P51151 2/20 0.44
▸ NPC1 O15118 2/20 0.43
▸ CHRNA7 P36544 2/20 0.41
▸ NAMPT P43490 1/20 0.41
▸ KMT2A Q03164 1/20 0.40

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
SCHEMBL10185433 0.87 DGAT1 (0.48) DGAT1RAB9ANPC1
SCHEMBL10185195 0.85 DGAT1 (0.50) DGAT1RAB9ANAMPT
SCHEMBL10185772 0.83 DGAT1 (0.47) DGAT1RAB9ANPC1CHRNA7
SCHEMBL10186294 0.83 HTR1A (0.48) DGAT1RAB9ANPC1
SCHEMBL10184488 0.83 HDAC3 (0.47) DGAT1RAB9ANPC1CHRNA7
SCHEMBL10186474 0.82 DGAT1 (0.47) DGAT1CHRNA7KMT2A
SCHEMBL10186462 0.80 DGAT1 (0.48) DGAT1
SCHEMBL10184403 0.80 DGAT1 (0.54) DGAT1KMT2A
SCHEMBL10185040 0.80 HDAC1 (0.46) DGAT1CHRNA7
SCHEMBL10186411 0.80 ALDH1A1 (0.55) DGAT1RAB9ANPC1

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-20120046292-A1 DIACYLETHYLENEDIAMINE COMPOUND ASTELLAS PHARMA INC. (JP) 2012-02-23 — — 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-20120046292-A1 DIACYLETHYLENEDIAMINE COMPOUND DGAT1, DGAT2, DIMT1 DGAT1 1/4885RAB9A 1660/4885NPC1 201/4885

“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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