SCHEMBL68112

SCHEMBL68112

C[Si](C)(C)CCOCn1c(-c2ccc(F)cc2)nc(Br)c1Br

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 3/20 0.41
MYC P01106 1/20 0.39
KDM4E B2RXH2 4/20 0.35
TSHR P16473 3/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
ALDH1A1 P00352 4/20 0.34
HPGD P15428 2/20 0.34
HSD17B10 Q99714 3/20 0.33
APOBEC3G Q9HC16 1/20 0.33
CES2 O00748 1/20 0.33
GAA P10253 1/20 0.32
MAPT P10636 4/20 0.31
NPC1 O15118 2/20 0.31
RAB9A P51151 2/20 0.31
GABRA2 P47869 1/20 0.31
GABRB2 P47870 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
MAPK14 Q16539 1/20 0.31
CYP3A4 P08684 1/20 0.30

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
SCHEMBL67447 0.88 DGAT1 (0.40) DGAT1MYCKDM4ETSHRALDH1A1
SCHEMBL23797282 0.87 DGAT1 (0.40) DGAT1KDM4ETSHRMEN1KMT2A
SCHEMBL22234417 0.87 DGAT1 (0.40) DGAT1MYCKDM4ETSHRMEN1
SCHEMBL66909 0.86 DGAT1 (0.47) DGAT1MYCKDM4EALDH1A1
SCHEMBL23781131 0.81 DGAT1 (0.39) DGAT1MYCKDM4EMEN1KMT2A
SCHEMBL17810234 0.80 DGAT1 (0.46) DGAT1MYCMAPTNPC1
SCHEMBL23797464 0.79 DGAT1 (0.44) DGAT1KDM4ETSHRMEN1KMT2A
SCHEMBL6984533 0.79 DGAT1 (0.43) DGAT1KDM4EMEN1KMT2AALDH1A1
SCHEMBL5213310 0.77 DGAT1 (0.37) DGAT1MYCNPC1
SCHEMBL6982067 0.76 DGAT1 (0.58) DGAT1ALDH1A1HPGDGABRA2GABRB2

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3829559-B1 INHIBITORS OF HISTONE DEACETYLASE USEFUL FOR THE TREATMENT OR PREVENTION OF HIV INFECTION MERCK SHARP & DOHME LLC (US) 2026-05-13 EP disclosed
US-12365674-B2 Inhibitors of histone deacetylase useful for the treatment or prevention of HIV infection MERCK SHARP & DOHME LLC (US) 2025-07-22 US disclosed
US-12331044-B2 Inhibitors of histone deacetylase useful for the treatment or prevention of HIV infection MERCK SHARP & DOHME LLC (US) 2025-06-17 US disclosed
EP-3876928-B1 INHIBITORS OF HISTONE DEACETYLASE USEFUL FOR THE TREATMENT OR PREVENTION OF HIV INFECTION MERCK SHARP & DOHME LLC (US) 2024-10-23 EP disclosed
US-20220089585-A1 INHIBITORS OF HISTONE DEACETYLASE USEFUL FOR THE TREATMENT OR PREVENTION OF HIV INFECTION MERCK SHARP & DOHME CORP. (US) 2022-03-24 US disclosed
US-20210403479-A1 INHIBITORS OF HISTONE DEACETYLASE USEFUL FOR THE TREATMENT OR PREVENTION OF HIV INFECTION MERCK SHARP & DOHME CORP. (US) 2021-12-30 US disclosed
EP-3911318-A1 INHIBITORS OF HISTONE DEACETYLASE USEFUL FOR THE TREATMENT OR PREVENTION OF HIV INFECTION Merck Sharp & Dohme Corp. (US) 2021-11-24 EP disclosed
US-20210276992-A1 INHIBITORS OF HISTONE DEACETYLASE USEFUL FOR THE TREATMENT OR PREVENTION OF HIV INFECTION MERCK SHARP & DOHME CORP. (US) 2021-09-09 US disclosed
EP-3829559-A1 INHIBITORS OF HISTONE DEACETYLASE USEFUL FOR THE TREATMENT OR PREVENTION OF HIV INFECTION Merck Sharp & Dohme Corp. (US) 2021-06-09 EP disclosed
WO-2020150091-A1 INHIBITORS OF HISTONE DEACETYLASE USEFUL FOR THE TREATMENT OR PREVENTION OF HIV INFECTION MERCK SHARP & DOHME CORP. (US) 2020-07-23 WO 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
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
WO-2009115572-A2 NOVEL HETEROCYCLIC COMPOUNDS AND USES THEROF NOVARTIS AG (CH) 2009-09-24 WO disclosed
EP-1224180-B1 SUBSTITUTED AZOLES NOVARTIS AG (CH) 2003-07-02 EP disclosed
US-6579874-B2 P38 MAP kinase inhibitors; treating Tumor necrosis factor (TNF-alpha) and Interleukin-1 mediated diseases, such as rheumatoid arthritis; imidazole and oxazole derivatives NOVARTIS AG (CH) 2003-06-17 US disclosed
EP-1224180-A2 SUBSTITUTED AZOLES Novartis AG (CH) 2002-07-24 EP disclosed
US-20020049220-A1 Substituted azoles NOVARTIS AG (CH) 2002-04-25 US disclosed
WO-2000063204-A2 SUBSTITUTED AZOLES NOVARTIS AG (CH) 2000-10-26 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 (8 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-20210403479-A1 INHIBITORS OF HISTONE DEACETYLASE USEFUL FOR THE TREATMENT OR PREVENTION OF HIV INFECTION HDAC1, HDAC11, HDAC3 DGAT1 3738/4885MYC 4247/4885KDM4E 103/4885
US-20220089585-A1 INHIBITORS OF HISTONE DEACETYLASE USEFUL FOR THE TREATMENT OR PREVENTION OF HIV INFECTION HDAC1, HDAC11, HDAC3 DGAT1 3991/4885MYC 4412/4885KDM4E 98/4885
US-12331044-B2 Inhibitors of histone deacetylase useful for the treatment or prevention of HIV infection HDAC1, HDAC11, HDAC10 DGAT1 4019/4885MYC 3824/4885KDM4E 145/4885
US-20210276992-A1 INHIBITORS OF HISTONE DEACETYLASE USEFUL FOR THE TREATMENT OR PREVENTION OF HIV INFECTION HDAC1, HDAC11, HDAC10 DGAT1 4019/4885MYC 3824/4885KDM4E 145/4885
US-12365674-B2 Inhibitors of histone deacetylase useful for the treatment or prevention of HIV infection HDAC1, HDAC11, HDAC3 DGAT1 3991/4885MYC 4412/4885KDM4E 98/4885
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
US-20020049220-A1 Substituted azoles MAPK1, MAPK4, MAP3K1 DGAT1 2618/4885MYC 1279/4885KDM4E 1625/4885

“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.