Sugi Predict

Sugi Predict / Compounds / SCHEMBL67447

SCHEMBL67447

SCHEMBL67447

C[Si](C)(C)CCOCn1c(-c2ccccc2)nc(Br)c1Br

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DGAT1 O75907 3/20 0.40
▸ MYC P01106 1/20 0.40
▸ KDM4E B2RXH2 4/20 0.39
▸ HSD17B10 Q99714 3/20 0.39
▸ HPGD P15428 1/20 0.37
▸ NPC1 O15118 2/20 0.36
▸ ALDH1A1 P00352 3/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ F11 P03951 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ NR1H2 P55055 1/20 0.35
▸ NR1H3 Q13133 1/20 0.35
▸ MAPT P10636 3/20 0.34
▸ LMNA P02545 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ TP53 P04637 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ CASR P41180 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
SCHEMBL68112 0.88 DGAT1 (0.41) DGAT1MYCKDM4EHSD17B10HPGD
SCHEMBL66909 0.85 DGAT1 (0.47) DGAT1MYCKDM4EALDH1A1LMNA
SCHEMBL84698 0.83 KDM4E (0.37) DGAT1KDM4EHSD17B10HPGDNPC1
SCHEMBL68153 0.83 MAPK14 (0.39) DGAT1KDM4EHSD17B10NPC1F11
SCHEMBL6984533 0.82 DGAT1 (0.43) DGAT1KDM4EHSD17B10HPGDNPC1
SCHEMBL23781131 0.82 DGAT1 (0.39) DGAT1MYCKDM4EHSD17B10NPC1
SCHEMBL15050237 0.82 HSD11B1 (0.37) DGAT1MYCKDM4ENPC1ALDH1A1
SCHEMBL5116755 0.82 KDM4E (0.46) DGAT1KDM4EHSD17B10HPGDNPC1
SCHEMBL17810234 0.81 DGAT1 (0.46) DGAT1MYCNPC1MAPT
SCHEMBL18586242 0.81 KDM4E (0.39) DGAT1KDM4EHSD17B10HPGDNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8865732-B2 Heterocyclic compounds and uses thereof NOVARTIS AG (CH) 2014-10-21 — — US disclosed
US-8865732-B2 Heterocyclic compounds and uses thereof NOVARTIS AG (CH) 2014-10-21 — — US disclosed
US-20130210818-A1 Novel Heterocyclic Compounds and Uses Thereof NOVARTIS AG (CH) 2013-08-15 — — US disclosed
US-20130210818-A1 Novel Heterocyclic Compounds and Uses Thereof NOVARTIS AG (CH) 2013-08-15 — — US disclosed
US-8129394-B2 Heteroaryl-substituted imidazole compounds and uses thereof NOVARTIS AG (CH) 2012-03-06 — — US disclosed
US-8129394-B2 Heteroaryl-substituted imidazole compounds and uses thereof NOVARTIS AG (CH) 2012-03-06 — — US disclosed
EP-2274300-A2 NOVEL HETEROCYCLIC COMPOUNDS AND USES THEROF Novartis AG (CH) 2011-01-19 — — EP disclosed
US-20100003246-A1 Novel heterocyclic compounds and uses therof NOVARTIS AG (CH) 2010-01-07 — — US disclosed
US-20100003246-A1 Novel heterocyclic compounds and uses therof NOVARTIS AG (CH) 2010-01-07 — — US disclosed
WO-2009115572-A2 NOVEL HETEROCYCLIC COMPOUNDS AND USES THEROF NOVARTIS AG (CH) 2009-09-24 — — 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 (2 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-20100003246-A1 Novel heterocyclic compounds and uses therof BRAF, ARAF, KRAS DGAT1 3367/4885MYC 15/4885KDM4E 3041/4885
US-20130210818-A1 Novel Heterocyclic Compounds and Uses Thereof BRAF, RAF1, HRAS DGAT1 2240/4885MYC 41/4885KDM4E 2526/4885

“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.