SCHEMBL15026115

SCHEMBL15026115

CCOC(=O)c1cn(CCO[Si](C)(C)C(C)(C)C)nc1NC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.38
▸ MAPT P10636 2/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ TEAD2 Q15562 1/20 0.36
▸ FOS P01100 3/20 0.35
▸ JUN P05412 3/20 0.35
▸ NFKB1 P19838 3/20 0.35
▸ NFKB2 Q00653 3/20 0.35
▸ RELA Q04206 3/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ CDC7 O00311 1/20 0.34
▸ DBF4 Q9UBU7 1/20 0.34
▸ BAZ2B Q9UIF8 1/20 0.33
▸ BAZ2A Q9UIF9 1/20 0.33
▸ TSHR P16473 2/20 0.33
▸ ADORA3 P0DMS8 2/20 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
SCHEMBL15026118 0.86 TRPM8 (0.41) KDM4EMAPTALDH1A1NPC1HPGD
SCHEMBL15026119 0.84 TEAD2 (0.39) KDM4EMAPTALDH1A1NPC1HPGD
SCHEMBL12429199 0.79 TEAD2 (0.39) KDM4EMAPTALDH1A1NPC1HPGD
SCHEMBL15026117 0.77 TEAD2 (0.33) KDM4EALDH1A1NPC1HPGDHSD17B10
SCHEMBL12429213 0.76 ALDH1A1 (0.48) KDM4EMAPTALDH1A1NPC1HPGD
SCHEMBL13860366 0.74 L3MBTL1 (0.43) KDM4EMAPTALDH1A1NPC1HPGD
SCHEMBL18149668 0.71 FOS (0.38) KDM4EMAPTALDH1A1NPC1HPGD
SCHEMBL31714850 0.71 IKBKB (0.44) KDM4EMAPTALDH1A1NPC1HPGD
SCHEMBL18131164 0.70 L3MBTL1 (0.36) KDM4EMAPTALDH1A1NPC1HPGD
SCHEMBL15273722 0.69 ALDH1A1 (0.43) MAPTALDH1A1CYP3A4CYP2C19POLB

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-20130150350-A1 Derivatives of 1-Phenyl-1,5-Dihydro-Benzo[B] [1,4]Diazepine-2,4-Dione as Inhibitors of HIV Replication BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-06-13 — — 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-20130150350-A1 Derivatives of 1-Phenyl-1,5-Dihydro-Benzo[B] [1,4]Diazepine-2,4-Dione as Inhibitors of HIV Replication MED1, ZC3HAV1, BET1 KDM4E 197/4885MAPT 2354/4885ALDH1A1 1813/4885

“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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