SCHEMBL12427427

SCHEMBL12427427

CC1=Nc2ccccc2C(F)c2ccccc21

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 6/20 0.36
NOS3 P29474 4/20 0.36
NOS2 P35228 4/20 0.36
MAPK1 P28482 1/20 0.35
GPR3 P46089 1/20 0.31
HTR7 P34969 1/20 0.31
HTR2B P41595 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 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
SCHEMBL14135991 0.77 PLEC (0.36) NOS1NOS3NOS2MAPK1MEN1
SCHEMBL28844368 0.76 NOS1 (0.40) NOS1NOS3NOS2
SCHEMBL14455164 0.73 MAPK1 (0.44) MAPK1MEN1KMT2A
SCHEMBL30565769 0.73
SCHEMBL14455165 0.73 MAPK1 (0.44) MAPK1MEN1KMT2A
SCHEMBL29797969 0.72 GPR3 (0.46) GPR3HTR7HTR2BMEN1KMT2A
SCHEMBL4359049 0.72 GPR3 (0.46) GPR3HTR7HTR2BMEN1KMT2A
SCHEMBL28886119 0.71 NOS1 (0.42) NOS1NOS3NOS2MEN1KMT2A
SCHEMBL23552340 0.65 PDK2 (0.42) GPR3HTR7HTR2BMEN1KMT2A
SCHEMBL30829186 0.64 MEN1 (0.35) GPR3HTR7HTR2BMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170000749-A1 Methods for Treating Cognitive Disorders Using Inhibitors of Histone Deacetylase FMR LLC 2017-01-05 US disclosed
US-9193749-B2 Dibenzo[b,f][1,4]oxazepin-11-yl-N-hydroxybenzamides as HDAC inhibitors FORUM PHARMACEUTICALS, INC. (US) 2015-11-24 US disclosed
US-20150080325-A1 METHODS FOR TREATING COGNITIVE DISORDERS USING INHIBITORS OF HISTONE DEACETYLASE ENVIVO PHARMACEUTICALS, INC. (US) 2015-03-19 US disclosed
US-20140179678-A1 METHODS OF TARGETED TREATMENT OF FRONTOTEMPORAL LOBAR DEGENERATION FMR LLC 2014-06-26 US disclosed
US-20140011988-A1 Dibenzo[B,F][1,4]Oxazepin-11-yl-N-Hydroxybenzamides as HDAC Inhibitors FMR LLC 2014-01-09 US disclosed
US-8399452-B2 Anticancer agents; antiproliferative agenst; antiprotozoa agents METHYLGENE INC. (CA) 2013-03-19 US disclosed
US-20110288070-A1 METHODS FOR TREATING COGNITIVE DISORDERS USING INHIBITORS OF HISTONE DEACETYLASE FMR LLC 2011-11-24 US disclosed
US-20110196147-A1 INHIBITORS OF HISTONE DEACETYLASE FMR LLC 2011-08-11 US disclosed
US-20080207590-A1 Inhibitors of Histone Deacetylase METHYLGENE INC. (CA) 2008-08-28 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 (7 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-20110288070-A1 METHODS FOR TREATING COGNITIVE DISORDERS USING INHIBITORS OF HISTONE DEACETYLASE HDAC1, HDAC5, HDAC2 NOS1 3014/4885NOS3 3230/4885NOS2 2745/4885
US-20080207590-A1 Inhibitors of Histone Deacetylase HDAC1, HDAC5, HDAC11 NOS1 4005/4885NOS3 4099/4885NOS2 3807/4885
US-20150080325-A1 METHODS FOR TREATING COGNITIVE DISORDERS USING INHIBITORS OF HISTONE DEACETYLASE HDAC1, HDAC5, HDAC2 NOS1 3014/4885NOS3 3230/4885NOS2 2745/4885
US-20170000749-A1 Methods for Treating Cognitive Disorders Using Inhibitors of Histone Deacetylase HDAC5, KAT2A, HDAC1 NOS1 2961/4885NOS3 3165/4885NOS2 2675/4885
US-20140179678-A1 METHODS OF TARGETED TREATMENT OF FRONTOTEMPORAL LOBAR DEGENERATION GRN, PRPH, TDP2 NOS1 4653/4885NOS3 4445/4885NOS2 4714/4885
US-20110196147-A1 INHIBITORS OF HISTONE DEACETYLASE HDAC1, HDAC5, HDAC11 NOS1 4005/4885NOS3 4099/4885NOS2 3807/4885
US-20140011988-A1 Dibenzo[B,F][1,4]Oxazepin-11-yl-N-Hydroxybenzamides as HDAC Inhibitors HDAC1, HDAC2, HDAC4 NOS1 3970/4885NOS3 4253/4885NOS2 3944/4885

“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.