Sugi Predict

Sugi Predict / Compounds / SCHEMBL10073121

SCHEMBL10073121

SCHEMBL10073121

COc1ccc(CCNC(=O)c2cccnc2Oc2ccccc2)cc1OC

nearest known ligand 0.64

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ MAPK8 P45983 2/20 0.64
▸ LMNA P02545 1/20 0.60
▸ ALDH1A1 P00352 3/20 0.58
▸ PDE10A Q9Y233 1/20 0.57
▸ MAPK1 P28482 1/20 0.57
▸ MAPT P10636 2/20 0.56
▸ GAA P10253 1/20 0.56
▸ TP53 P04637 2/20 0.55

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
SCHEMBL10073056 0.92 GAA (0.60) MAPK8LMNAALDH1A1PDE10AMAPK1
SCHEMBL10073062 0.89 LMNA (0.67) LMNAMAPK1MAPTGAATP53
SCHEMBL10073070 0.86 LMNA (0.80) LMNAMAPK1MAPTGAATP53
SCHEMBL10073065 0.85 LMNA (0.69) LMNAALDH1A1MAPK1MAPTGAA
SCHEMBL10073050 0.85 MAPK8 (0.77) MAPK8ALDH1A1PDE10A
SCHEMBL10073074 0.84 LMNA (0.67) LMNAALDH1A1MAPK1MAPTTP53
SCHEMBL10073063 0.84 LMNA (0.61) LMNAALDH1A1MAPK1MAPTGAA
SCHEMBL10073071 0.84 LMNA (0.63) LMNAALDH1A1MAPK1MAPTGAA
SCHEMBL10073067 0.83 LMNA (0.62) LMNAALDH1A1MAPK1MAPTGAA
SCHEMBL10073117 0.82 MAPT (0.64) LMNAALDH1A1MAPK1MAPTTP53

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-20130012536-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-01-10 — — US disclosed
US-20130012536-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-01-10 — — US disclosed
US-20120035179-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED 2012-02-09 — — US disclosed
US-20120035179-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED 2012-02-09 — — US disclosed
US-20100125090-A1 Modulators of ATP-Binding Cassette Transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-05-20 — — US disclosed
US-20100125090-A1 Modulators of ATP-Binding Cassette Transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-05-20 — — US disclosed
US-7598412-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-10-06 — — US disclosed
US-7598412-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-10-06 — — 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 (3 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-20130012536-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS ABCB11, ABCB1, ABCC5 MAPK8 4045/4885LMNA 1873/4885ALDH1A1 895/4885
US-20100125090-A1 Modulators of ATP-Binding Cassette Transporters ABCB11, ABCB1, ABCC5 MAPK8 4045/4885LMNA 1873/4885ALDH1A1 895/4885
US-20120035179-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS ABCB11, ABCB1, ABCC5 MAPK8 4045/4885LMNA 1873/4885ALDH1A1 895/4885

“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.