SCHEMBL15550751

SCHEMBL15550751

CC(C)(C)OC(=O)N(N)c1cccc(Cl)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3E A5X5Y0 1/20 0.43
HTR3B O95264 1/20 0.43
HTR3A P46098 1/20 0.43
HTR3D Q70Z44 1/20 0.43
HTR3C Q8WXA8 1/20 0.43
MAPT P10636 2/20 0.39
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
MT-CO2 P00403 1/20 0.38
PARP1 P09874 1/20 0.38
BRD4 O60885 1/20 0.37
XPO1 O14980 1/20 0.37
HSD17B1 P14061 1/20 0.36
HSD17B2 P37059 1/20 0.36
BCL2A1 Q16548 1/20 0.36
CLK1 P49759 1/20 0.36
CLK2 P49760 1/20 0.36
PGR P06401 1/20 0.36

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
SCHEMBL12140384 0.89 BRD4 (0.40) NPSR1MT-CO2BRD4
SCHEMBL3407971 0.83 CYP3A4 (0.40) NPC1ALDH1A1PARP1BRD4HSD17B1
SCHEMBL29004748 0.83 HTR3E (0.51) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL30455057 0.83 HTR3E (0.51) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL2130967 0.82 HDAC1 (0.42) NPC1ALDH1A1PARP1BRD4RIPK1
SCHEMBL1010292 0.82 MT-CO2 (0.40) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL551649 0.81 MT-CO2 (0.53) MAPTALDH1A1GAAMT-CO2POLB
SCHEMBL4288276 0.81 PARP1 (0.44) PARP1HSD17B1HSD17B2
SCHEMBL2354804 0.80 L3MBTL1 (0.43) MAPTALDH1A1NPSR1BRD4
SCHEMBL7758742 0.79 ALDH1A1 (0.42) HTR3EHTR3BHTR3AHTR3DHTR3C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11377423-B2 Inhibitors of histone deacetylase THE BROAD INSTITUTE, INC. (US) 2022-07-05 US disclosed
EP-2877444-B1 INHIBITORS OF HISTONE DEACETYLASE BROAD INST INC (US) 2020-09-02 EP disclosed
US-20180072671-A1 INHIBITORS OF HISTONE DEACETYLASE THE BROAD INSTITUTE, INC. (US) 2018-03-15 US disclosed
US-9790184-B2 Inhibitors of histone deacetylase THE BROAD INSTITUTE, INC. (US) 2017-10-17 US disclosed
US-20150191427-A1 INHIBITORS OF HISTONE DEACETYLASE THE GENERAL HOSPITAL CORPORATION D/B/A MASSACHUSETTS GENERAL HOSPITAL (US) 2015-07-09 US disclosed
EP-2877444-A1 INHIBITORS OF HISTONE DEACETYLASE The Broad Institute, Inc. (US) 2015-06-03 EP disclosed
WO-2014018979-A1 INHIBITORS OF HISTONE DEACETYLASE THE BROAD INSTITUTE, INC. (US) 2014-01-30 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 (3 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-20180072671-A1 INHIBITORS OF HISTONE DEACETYLASE HDAC3, HDAC1, HDAC11 HTR3E 2904/4885HTR3B 2945/4885HTR3A 3309/4885
US-20150191427-A1 INHIBITORS OF HISTONE DEACETYLASE HDAC3, HDAC1, HDAC5 HTR3E 2855/4885HTR3B 2907/4885HTR3A 3269/4885
US-11377423-B2 Inhibitors of histone deacetylase HDAC3, HDAC1, HDAC11 HTR3E 2783/4885HTR3B 2850/4885HTR3A 3244/4885

“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.