SCHEMBL7233993

SCHEMBL7233993

CC(C)(C)CNc1ccc(Cl)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
CYP1A2 P05177 2/20 0.43
CYP2C9 P11712 2/20 0.43
CYP2C19 P33261 2/20 0.43
RAB9A P51151 2/20 0.43
RECQL P46063 1/20 0.43
NPSR1 Q6W5P4 1/20 0.41
CNR2 P34972 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
POLB P06746 1/20 0.40
NPC1 O15118 2/20 0.39
SLC6A2 P23975 1/20 0.39
HTR2A P28223 1/20 0.39
SLC6A4 P31645 1/20 0.39
HRH1 P35367 1/20 0.39
HTR2B P41595 1/20 0.39
CHRNA4 P43681 1/20 0.39
SLC6A3 Q01959 1/20 0.39
ALDH1A1 P00352 3/20 0.38

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
SCHEMBL10852321 0.83 SLC6A2 (0.50) MEN1KMT2ACYP1A2CYP2C9CYP2C19
SCHEMBL855240 0.79 MAPT (0.58) MEN1KMT2ARAB9ATDP1POLB
SCHEMBL12932858 0.78 SMN1; SMN2 (0.40) MEN1KMT2ACYP2C9RAB9ATDP1
SCHEMBL12932897 0.77 AR (0.36) CYP1A2CYP2D6MAPTAR
SCHEMBL21799622 0.77 MAPK8 (0.46) MEN1KMT2ACYP1A2CYP2C9CYP2C19
SCHEMBL12932913 0.77 ALDH1A1 (0.40) MEN1KMT2ACYP2C9RAB9ANPC1
SCHEMBL12932880 0.77 ALDH1A1 (0.39) CYP1A2CYP2C9CYP2C19ALDH1A1HPGD
SCHEMBL13167596 0.77 CA1 (0.45) MEN1KMT2ARAB9ANPC1PDK1
SCHEMBL12212268 0.77 MEN1 (0.43) MEN1KMT2ACYP1A2CYP2C19RAB9A
SCHEMBL10426372 0.77 SMN1; SMN2 (0.44) MEN1KMT2ACYP1A2CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7868204-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2011-01-11 US disclosed
US-7868204-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2011-01-11 US disclosed
US-7868205-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2011-01-11 US disclosed
US-7838520-B2 Inhibitors of histone deacetylase METHYLGENE, INC. (CA) 2010-11-23 US disclosed
US-7838520-B2 Inhibitors of histone deacetylase METHYLGENE, INC. (CA) 2010-11-23 US disclosed
US-7595343-B2 Inhibitors of histone deacetylase METHYLGENE, INC. (CA) 2009-09-29 US disclosed
US-7595343-B2 Inhibitors of histone deacetylase METHYLGENE, INC. (CA) 2009-09-29 US disclosed
US-7504391-B2 Selective D1/D5 receptor antagonists for the treatment of obesity and CNS disorders SCHERING CORPORATION (US) 2009-03-17 US disclosed
US-20080132459-A1 Inhibitors of Histone Deacetylase METHYLGENE, INC. (CA) 2008-06-05 US disclosed
US-6537987-B1 This invention relates to certain benzoxazepinones and benzothiazepinones useful as hypocholesterolemic agents, hypotriglyceridemic agents, antiatherosclerosis agents, antifungal agents, anti-Alzheimer's agents or anti-acne PFIZER INC. 2003-03-25 US disclosed
US-5770594-A ANTICHOLESTEROL AGENTS, INHIBITORS OF CHOLESTEROL SYNTHESIS PFIZER INC. (US) 1998-06-23 US disclosed
WO-1997048701-A1 4,1-BENZOXAZEPINES OR 4,1-BENZOTHIAZEPINES AND THEIR USE AS SQUALENE SYNTHETASE INHIBITORS PFIZER INC. (US) 1997-12-24 WO disclosed
CN-1133287-A Inhibitor for squalene synthetic enzyme PFIZER (US) 1996-10-16 CN disclosed
WO-1996020184-A1 NAPHTHYL-BENZOXAZEPINES OR -BENZOTHIAZEPINES AS SQUALENE SYNTHETASE INHIBITORS PFIZER INC. (US) 1996-07-04 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 (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-20080132459-A1 Inhibitors of Histone Deacetylase HDAC1, HDAC5, HDAC3 MEN1 2635/4885KMT2A 52/4885CYP1A2 4430/4885

“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.