SCHEMBL1979369

SCHEMBL1979369

O=C(O)CCc1ccccc1-n1ccnc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.51
TBXAS1 P24557 8/20 0.51
CYP3A4 P08684 4/20 0.45
ALDH1A1 P00352 2/20 0.44
CYP1A2 P05177 2/20 0.44
CYP2D6 P10635 2/20 0.44
CYP2C9 P11712 2/20 0.44
CYP2C19 P33261 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
MAPK1 P28482 1/20 0.44
PMP22 Q01453 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
HPGD P15428 1/20 0.42
GAA P10253 1/20 0.42
EGLN3 Q9H6Z9 1/20 0.41
CYP19A1 P11511 1/20 0.41
ALOX15 P16050 1/20 0.41

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
SCHEMBL18566691 0.82 IDO1 (0.48) IDO1TBXAS1CYP3A4ALDH1A1CYP1A2
SCHEMBL6949982 0.81 IDO1 (0.57) IDO1CYP3A4ALDH1A1CYP1A2CYP2D6
SCHEMBL1979034 0.81 CYP4F2 (0.53) IDO1TBXAS1ALDH1A1MEN1KMT2A
SCHEMBL3228422 0.79 IDO1 (0.58) IDO1CYP3A4ALDH1A1CYP1A2CYP2D6
SCHEMBL8588747 0.79 IDO1 (0.48) IDO1TBXAS1CYP3A4ALDH1A1CYP1A2
SCHEMBL20777541 0.78 IDO1 (0.53) IDO1CYP3A4ALDH1A1CYP1A2CYP2D6
SCHEMBL26731495 0.78 IDO1 (0.53) IDO1CYP3A4ALDH1A1CYP1A2CYP2D6
SCHEMBL29030119 0.78 IDO1 (0.47) IDO1TBXAS1CYP3A4ALDH1A1CYP1A2
SCHEMBL8436958 0.78 IDO1 (0.61) IDO1CYP3A4ALDH1A1CYP1A2CYP2D6
SCHEMBL27943946 0.78 IDO1 (0.49) IDO1CYP3A4ALDH1A1CYP1A2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2509981-B1 INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE LILLY CO ELI (US) 2014-08-06 EP disclosed
EP-2509981-B1 INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE LILLY CO ELI (US) 2014-08-06 EP disclosed
US-8299061-B2 Inhibitors of diacylglycerol acyltransferase ELI LILLY AND COMPANY (US) 2012-10-30 US disclosed
US-8299061-B2 Inhibitors of diacylglycerol acyltransferase ELI LILLY AND COMPANY (US) 2012-10-30 US disclosed
US-8299061-B2 Inhibitors of diacylglycerol acyltransferase ELI LILLY AND COMPANY (US) 2012-10-30 US disclosed
US-20110144091-A1 Inhibitors of Diacylglycerol Acyltransferase ELI LILLY AND COMPANY (US) 2011-06-16 US disclosed
WO-2011071840-A1 INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE ELI LILLY AND COMPANY (US) 2011-06-16 WO disclosed
US-20110144091-A1 Inhibitors of Diacylglycerol Acyltransferase ELI LILLY AND COMPANY (US) 2011-06-16 US disclosed
US-20110144091-A1 Inhibitors of Diacylglycerol Acyltransferase ELI LILLY AND COMPANY (US) 2011-06-16 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-20110144091-A1 Inhibitors of Diacylglycerol Acyltransferase DGAT1, DGAT2, LCAT IDO1 1741/4885TBXAS1 348/4885CYP3A4 3689/4885

“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.