Sugi Predict

Sugi Predict / Compounds / SCHEMBL9054376

SCHEMBL9054376

SCHEMBL9054376

CC(C)(C)NC(=O)Nc1cc2c3c(c1)[C@H](C1C=C(C(F)(F)F)C=CC1)CCN3CC[C@H]2c1cccc(C(F)(F)F)c1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 3/20 0.36
▸ UBE2M P61081 5/20 0.35
▸ DCUN1D1 Q96GG9 5/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ CCKBR P32239 1/20 0.34
▸ CDK8 P49336 1/20 0.33
▸ ACKR3 P25106 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ KIT P10721 1/20 0.32
▸ DRD2 P14416 1/20 0.32
▸ DGAT2 Q96PD7 1/20 0.32
▸ NPY2R P49146 1/20 0.32
▸ CCR2 P41597 1/20 0.32

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
SCHEMBL8989647 0.86 EPHX2 (0.43) EPHX2UBE2MDCUN1D1MEN1KMT2A
SCHEMBL9054838 0.84 KCNQ2 (0.36) EPHX2CCKBR
SCHEMBL8990067 0.84 EPHX2 (0.41) EPHX2UBE2MDCUN1D1MEN1KMT2A
SCHEMBL8989656 0.77 TRPM8 (0.41) EPHX2ACKR3
SCHEMBL8989641 0.76 KCNQ2 (0.42) EPHX2MEN1KMT2ACCKBRALDH1A1
SCHEMBL2389167 0.74 CCKBR (0.39) MEN1KMT2ACCKBRALDH1A1
SCHEMBL8990143 0.74 TRPM8 (0.40) EPHX2ACKR3
SCHEMBL8989570 0.73 MEN1 (0.41) EPHX2UBE2MDCUN1D1MEN1KMT2A
SCHEMBL9057269 0.73 DRD4 (0.34) EPHX2KMT2AALDH1A1DRD2NPY2R
SCHEMBL9058150 0.72 MEN1 (0.35) EPHX2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120309782-A1 THERAPEUTICALLY USEFUL SUBSTITUTED HYDROPYRIDO [3,2,1-ij] QUINOLINE COMPOUNDS ALLERGAN, INC. (US) 2012-12-06 — — US disclosed
US-8309729-B2 Therapeutically useful substituted hydropyrido [3,2,1-ij] quinoline compounds ALLERGAN, INC. (US) 2012-11-13 — — US disclosed
US-20120214838-A1 THERAPEUTICALLY USEFUL SUBSTITUTED HYDROPYRIDO [3,2,1-ij] QUINOLINE COMPOUNDS ALLERGAN, INC. (US) 2012-08-23 — — US disclosed
US-8188279-B2 Therapeutically useful substituted hydropyrido [3,2,1-ij] quinoline compounds ALLERGAN, INC. (US) 2012-05-29 — — US disclosed
US-20110237797-A1 THERAPEUTICALLY USEFUL SUBSTITUTED HYDROPYRIDO [3,2,1-ij] QUINOLINE COMPOUNDS ALLERGAN, INC. (US) 2011-09-29 — — US disclosed
US-20100009985-A1 THERAPEUTICALLY USEFUL SUBSTITUTED HYDROPYRIDO [3,2,1-ij] QUINOLINE COMPOUNDS ALLERGAN, INC. (US) 2010-01-14 — — US disclosed
WO-2009137681-A1 THERAPEUTICALLY USEFUL SUBSTITUTED HYDROPYRIDO [3,2,1-IJ] QUINOLINE COMPOUNDS ALLERGAN, INC. (US) 2009-11-12 — — 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 (4 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-20120214838-A1 THERAPEUTICALLY USEFUL SUBSTITUTED HYDROPYRIDO [3,2,1-ij] QUINOLINE COMPOUNDS NQO2, NDUFA3, NDUFB7 EPHX2 2635/4885UBE2M 2667/4885DCUN1D1 4567/4885
US-20110237797-A1 THERAPEUTICALLY USEFUL SUBSTITUTED HYDROPYRIDO [3,2,1-ij] QUINOLINE COMPOUNDS NQO2, NDUFA3, NDUFB7 EPHX2 2635/4885UBE2M 2667/4885DCUN1D1 4567/4885
US-20120309782-A1 THERAPEUTICALLY USEFUL SUBSTITUTED HYDROPYRIDO [3,2,1-ij] QUINOLINE COMPOUNDS NQO2, NDUFA3, NDUFB7 EPHX2 2635/4885UBE2M 2667/4885DCUN1D1 4567/4885
US-20100009985-A1 THERAPEUTICALLY USEFUL SUBSTITUTED HYDROPYRIDO [3,2,1-ij] QUINOLINE COMPOUNDS NQO2, NDUFA3, NDUFB7 EPHX2 2635/4885UBE2M 2667/4885DCUN1D1 4567/4885

“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.