Sugi Predict

Sugi Predict / Compounds / SCHEMBL1951996

SCHEMBL1951996

SCHEMBL1951996

CC1(Cc2cc(F)cc(F)c2F)C(=O)N(c2ccccn2)Cc2ccc(-c3cccc(OCC(F)(F)F)c3)cc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 2/20 0.37
▸ MGAT2 Q10469 5/20 0.33
▸ DGAT2 Q96PD7 1/20 0.33
▸ SLC16A3 O15427 1/20 0.33
▸ SLC16A1 P53985 1/20 0.33
▸ MCTS1 Q9ULC4 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ SLC5A1 P13866 7/20 0.32
▸ FGFR2 P21802 2/20 0.32
▸ FGFR4 P22455 2/20 0.32
▸ FGFR3 P22607 2/20 0.32
▸ FGFR1 P11362 1/20 0.32
▸ UGCG Q16739 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
SCHEMBL1948971 0.92 BACE1 (0.40) BACE1DGAT2SLC16A3SLC16A1MCTS1
SCHEMBL1948964 0.89 BACE1 (0.39) BACE1MGAT2DGAT2SLC16A3SLC16A1
SCHEMBL1952153 0.89 BACE1 (0.38) BACE1DGAT2SLC16A3SLC16A1MCTS1
SCHEMBL1951754 0.88 BACE1 (0.37) BACE1MGAT2DGAT2SLC5A1CTSD
SCHEMBL1951745 0.88 BACE1 (0.37) BACE1MGAT2DGAT2SLC5A1CTSD
SCHEMBL1949911 0.87 FGFR1 (0.37) BACE1DGAT2SLC5A1FGFR2FGFR4
SCHEMBL1951295 0.86 BACE1 (0.39) BACE1MGAT2DGAT2SLC5A1CTSD
SCHEMBL1851293 0.86 BACE1 (0.36) BACE1DGAT2SLC16A3SLC16A1MCTS1
SCHEMBL1951609 0.84 BACE1 (0.35) BACE1DGAT2SLC16A3SLC16A1MCTS1
SCHEMBL1949900 0.82 BACE1 (0.34) BACE1MGAT2DGAT2SLC16A3SLC16A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110136842-A1 Substituted Dihydroisoquinolinone and Isoquinolinedione Derivatives as Calcium Channel Blockers MERCK SHARP & DOHME CORP. 2011-06-09 — — US claimed
US-20110136842-A1 Substituted Dihydroisoquinolinone and Isoquinolinedione Derivatives as Calcium Channel Blockers MERCK SHARP & DOHME CORP. 2011-06-09 — — US disclosed
US-20110136842-A1 Substituted Dihydroisoquinolinone and Isoquinolinedione Derivatives as Calcium Channel Blockers MERCK SHARP & DOHME CORP. 2011-06-09 — — US disclosed
US-20110136842-A1 Substituted Dihydroisoquinolinone and Isoquinolinedione Derivatives as Calcium Channel Blockers MERCK SHARP & DOHME CORP. 2011-06-09 — — 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-20110136842-A1 Substituted Dihydroisoquinolinone and Isoquinolinedione Derivatives as Calcium Channel Blockers CACNA1D, TRPV1, CACNA1S BACE1 196/4885MGAT2 2472/4885DGAT2 3139/4885

“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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