SCHEMBL2073673

SCHEMBL2073673

C[Si](C)(C)CCOCn1c(Br)cnc1-c1ccc2ccccc2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 8/20 0.41
NPC1 O15118 1/20 0.35
S1PR1 P21453 1/20 0.35
MAPT P10636 1/20 0.35
ALDH1A1 P00352 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HSD17B10 Q99714 1/20 0.34
PIK3CD O00329 1/20 0.34
PIK3CA P42336 1/20 0.34
MTOR P42345 1/20 0.34
CHRNB2 P17787 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRNA7 P36544 1/20 0.33
CHRNA4 P43681 1/20 0.33

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
SCHEMBL23797464 0.80 DGAT1 (0.44) DGAT1NPC1MAPTALDH1A1HPGD
SCHEMBL16828763 0.75 DGAT1 (0.41) DGAT1NPC1MAPTLMNA
SCHEMBL30918989 0.75 HSD17B10 (0.41) DGAT1NPC1MAPTALDH1A1TSHR
SCHEMBL29197431 0.75 HSD17B10 (0.41) DGAT1NPC1MAPTALDH1A1TSHR
SCHEMBL2369367 0.72 CYP11B1 (0.39) DGAT1NPC1MAPTALDH1A1CYP1A2
SCHEMBL15986164 0.72 MAPT (0.38) DGAT1MAPTALDH1A1CYP1A2CYP3A4
SCHEMBL31457411 0.71 DGAT1 (0.38) DGAT1NPC1MAPTALDH1A1LMNA
SCHEMBL30841396 0.70 KDM4E (0.38) DGAT1NPC1MAPTALDH1A1CYP1A2
SCHEMBL27330069 0.70 KDM4E (0.38) DGAT1NPC1MAPTALDH1A1CYP1A2
SCHEMBL23124121 0.70 DGAT1 (0.38) DGAT1NPC1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1828171-B1 HETEROCYCLE DERIVATIVES AS HISTONE DEACETYLASE (HDAC) INHIBITORS ANGELETTI P IST RICHERCHE BIO (IT) 2014-03-12 EP disclosed
US-7863294-B2 Heterocycle derivatives as histone deacetylase (HDAC) inhibitors INSTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2011-01-04 US disclosed
US-20090048228-A1 Heterocycle Derivatives As Histone Deacetylase (Hdac) Inhibitors MSD ITALIA S.R.L. (IT) 2009-02-19 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-20090048228-A1 Heterocycle Derivatives As Histone Deacetylase (Hdac) Inhibitors HDAC1, HDAC5, HDAC11 DGAT1 2075/4885NPC1 1288/4885S1PR1 3711/4885

“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.