SCHEMBL162858

SCHEMBL162858

CNC(=O)c1cccc([O])c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 3/20 0.68
HDAC6 Q9UBN7 3/20 0.68
SLC7A5 Q01650 1/20 0.50
HDAC2 Q92769 1/20 0.48
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
POLB P06746 1/20 0.46
PLK1 P53350 2/20 0.46
PLAU P00749 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
CDK8 P49336 1/20 0.45
HPGD P15428 1/20 0.45
TSHR P16473 1/20 0.45
HTT P42858 1/20 0.45
PSMD14 O00487 1/20 0.45
STAMBP O95630 1/20 0.45
COPS5 Q92905 1/20 0.45
KIF11 P52732 1/20 0.44

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
SCHEMBL5909363 0.89 HDAC8 (0.83) HDAC8HDAC6SLC7A5HDAC2KMT2A
SCHEMBL13702375 0.83 HDAC8 (0.68) HDAC8HDAC6SLC7A5HDAC2CDK8
SCHEMBL82080 0.81 HDAC8 (0.71) HDAC8HDAC6KMT2AMEN1POLB
SCHEMBL1200585 0.81 HDAC8 (0.71) HDAC8HDAC6SLC7A5KMT2AMEN1
SCHEMBL162859 0.81 KDM4E (0.68) HDAC8HDAC6SLC7A5HDAC2KMT2A
SCHEMBL31540297 0.81 HDAC8 (0.71) HDAC8HDAC6KMT2AMEN1POLB
SCHEMBL29357844 0.81 KDM4E (0.68) HDAC8HDAC6SLC7A5HDAC2KMT2A
SCHEMBL2422043 0.81 HDAC8 (0.71) HDAC8HDAC6SLC7A5KMT2AMEN1
SCHEMBL3297688 0.80 HDAC8 (0.46) HDAC8HDAC6KMT2AMEN1KDM4E
SCHEMBL165800 0.80 NPSR1 (0.61) HDAC8HDAC6KMT2AKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9856210-B2 Pharmaceutical composition for prevention and treatment of amyotrophic lateral sclerosis KYOTO UNIVERSITY (JP) 2018-01-02 US disclosed
EP-2611437-B1 PHARMACEUTICAL COMPOSITION FOR PREVENTION AND TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS UNIV KYOTO (JP) 2017-03-29 EP disclosed
US-20130225642-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTION AND TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS KYOTO UNIVERSITY (JP) 2013-08-29 US disclosed
EP-2611437-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTION AND TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS Kyoto University (JP) 2013-07-10 EP disclosed
EP-1702919-B1 NOVEL 2-HETEROARYL-SUBSTITUTED BENZIMIDAZOLE DERIVATIVE MSD KK (JP) 2012-05-30 EP disclosed
WO-2012029994-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTION AND TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS KYOTO UNIVERSITY (JP) 2012-03-08 WO disclosed
US-8044070-B2 Heteroaryloxy nitrogenous saturated heterocyclic derivative MSD K.K. (JP) 2011-10-25 US disclosed
US-20100210637-A1 HETEROARYLOXY NITROGENOUS SATURATED HETEROCYCLIC DERIVATIVE MSD K.K. (JP) 2010-08-19 US disclosed
US-7728025-B2 2-heteroaryl-substituted benzimidazole derivative BANYU PHARMACEUTICAL CO., LTD. (JP) 2010-06-01 US disclosed
US-7595316-B2 Heteroaryloxy nitrogenous saturated heterocyclic derivative BANYU PHARMACEUTICAL CO., LTD. (JP) 2009-09-29 US disclosed
US-20080070928-A1 Novel 2-Heteroaryl-Substituted Benzimidazole Derivative MSD K.K. (JP) 2008-03-20 US disclosed
EP-1702919-A1 NOVEL 2-HETEROARYL-SUBSTITUTED BENZIMIDAZOLE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2006-09-20 EP disclosed
US-20060178375-A1 Heteroaryloxy nitrogenous saturated heterocyclic derivative MSD K.K. (JP) 2006-08-10 US disclosed
EP-1642898-A1 HETEROARYLOXY NITROGENOUS SATURATED HETEROCYCLIC DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2006-04-05 EP disclosed
US-5597683-A SHARPNESS, HIGH SPEED FUJI PHOTO FILM CO., LTD. (JP) 1997-01-28 US disclosed
EP-0501468-B1 Silver halide color photographic photosensitive materials FUJI PHOTO FILM CO LTD (JP) 1996-05-01 EP disclosed
EP-0501468-A1 Silver halide color photographic photosensitive materials FUJI PHOTO FILM CO., LTD. (JP) 1992-09-02 EP 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 (4 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-20130225642-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTION AND TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS SMN1; SMN2, SOD1, SOD3 HDAC8 2402/4885HDAC6 939/4885SLC7A5 2596/4885
US-20060178375-A1 Heteroaryloxy nitrogenous saturated heterocyclic derivative HRH3, HRH4, HCRTR2 HDAC8 626/4885HDAC6 1048/4885SLC7A5 2052/4885
US-20100210637-A1 HETEROARYLOXY NITROGENOUS SATURATED HETEROCYCLIC DERIVATIVE HRH3, HRH4, HRH2 HDAC8 710/4885HDAC6 1199/4885SLC7A5 2647/4885
US-20080070928-A1 Novel 2-Heteroaryl-Substituted Benzimidazole Derivative GCK, GCKR, HK1 HDAC8 56/4885HDAC6 704/4885SLC7A5 623/4885

“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.