SCHEMBL12041817

SCHEMBL12041817

CN(C)c1cccc2c(S(=O)(=O)NCCC(C)(C)C)cccc12

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.60
HDAC10 Q969S8 1/20 0.60
HDAC6 Q9UBN7 1/20 0.60
HDAC5 Q9UQL6 1/20 0.60
EDNRA P25101 8/20 0.58
CA2 P00918 1/20 0.54
F2 P00734 1/20 0.53
PRSS1 P07477 1/20 0.53
PRSS2 P07478 1/20 0.53
PRSS3 P35030 1/20 0.53
GBA1 P04062 2/20 0.53
EPHX2 P34913 1/20 0.53
GLB1 P16278 1/20 0.53
CYP1A2 P05177 1/20 0.52
CYP2C19 P33261 1/20 0.52
HTT P42858 1/20 0.52
HIF1A Q16665 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
KDM4E B2RXH2 1/20 0.51

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
SCHEMBL9157181 0.87 HDAC4 (0.61) HDAC4HDAC10HDAC6HDAC5EDNRA
SCHEMBL4126957 0.87 HDAC4 (0.71) HDAC4HDAC10HDAC6HDAC5EDNRA
SCHEMBL4139459 0.87 HDAC4 (0.75) HDAC4HDAC10HDAC6HDAC5EDNRA
SCHEMBL10002025 0.86 HDAC4 (0.62) HDAC4HDAC10HDAC6HDAC5EDNRA
SCHEMBL21103945 0.86 EDNRA (0.60) HDAC4HDAC10HDAC6HDAC5EDNRA
SCHEMBL4142506 0.86 HDAC4 (0.77) HDAC4HDAC10HDAC6HDAC5EDNRA
SCHEMBL12041801 0.85 HDAC4 (0.59) HDAC4HDAC10HDAC6HDAC5EDNRA
Dansyl Ethylenediamine SCHEMBL1293231 0.84 CYP3A4 (0.63) HDAC4HDAC10HDAC6HDAC5EDNRA
SCHEMBL7161252 0.84 HDAC4 (0.61) HDAC4HDAC10HDAC6HDAC5EDNRA
SCHEMBL572629 0.84 HDAC4 (0.65) HDAC4HDAC10HDAC6HDAC5EDNRA

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-20230357221-A1 HETEROCYCLIC MITOCHONDRIAL ACTIVITY INHIBITORS AND USES THEREOF UNIV MONTREAL (CA) 2023-11-09 US disclosed
US-20230357221-A1 HETEROCYCLIC MITOCHONDRIAL ACTIVITY INHIBITORS AND USES THEREOF UNIV MONTREAL (CA) 2023-11-09 US disclosed
US-11760754-B2 Heterocyclic mitochondrial activity inhibitors and uses thereof Université de Montréal (CA) 2023-09-19 US disclosed
US-11760754-B2 Heterocyclic mitochondrial activity inhibitors and uses thereof Université de Montréal (CA) 2023-09-19 US disclosed
US-20210387980-A1 HETEROCYCLIC MITOCHONDRIAL ACTIVITY INHIBITORS AND USES THEREOF Université de Montréal (CA) 2021-12-16 US disclosed
US-20200299461-A1 SEQUENCE-DEFINED POLYMERS AND METHODS OF MAKING SAME AND USING SAME CORNELL UNIVERSITY 2020-09-24 US disclosed
US-9682950-B2 Thiophene-2-carboximidamide based selective neuronal nitric oxide synthase inhibitors NORTHWESTERN UNIVERSITY (US) 2017-06-20 US disclosed
US-9682950-B2 Thiophene-2-carboximidamide based selective neuronal nitric oxide synthase inhibitors NORTHWESTERN UNIVERSITY (US) 2017-06-20 US disclosed
US-20160152590-A1 Thiophene-2-carboximidamide Based Selective Neuronal Nitric Oxide Synthase Inhibitors NORTHWESTERN UNIVERSITY 2016-06-02 US disclosed
US-9242957-B2 Thiophene-2-carboximidamide based selective neuronal nitric oxide inhibitors NORTHWESTERN UNIVERSITY (US) 2016-01-26 US disclosed
US-20140256958-A1 Thiophene-2-carboximidamide Based Selective Neuronal Nitric Oxide Inhibitors NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2014-09-11 US disclosed
US-8735606-B2 Thiophene-2-carboximidamide based selective neuronal nitric oxide inhibitors NORTHWESTERN UNIVERSITY (US) 2014-05-27 US disclosed
US-20140066635-A1 Thiophene-2-carboximidamide Based Selective Neuronal Nitric Oxide Inhibitors NORTHWESTERN UNIVERSITY (US) 2014-03-06 US disclosed
US-20110319293-A1 SYNTHETIC PROTEASE SUBSTRATES, ASSAY METHODS USING SUCH SUBSTRATES AND KITS FOR PRACTICING THE ASSAY LIFESENSORS, INC. 2011-12-29 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-20230357221-A1 HETEROCYCLIC MITOCHONDRIAL ACTIVITY INHIBITORS AND USES THEREOF IDH2, TFAM, IDH1 HDAC4 717/4885HDAC10 789/4885HDAC6 638/4885
US-20110319293-A1 SYNTHETIC PROTEASE SUBSTRATES, ASSAY METHODS USING SUCH SUBSTRATES AND KITS FOR PRACTICING THE ASSAY SENP1, STUB1, SENP7 HDAC4 2925/4885HDAC10 1589/4885HDAC6 1740/4885
US-20160152590-A1 Thiophene-2-carboximidamide Based Selective Neuronal Nitric Oxide Synthase Inhibitors NOS2, NOS1, NOS3 HDAC4 1995/4885HDAC10 1501/4885HDAC6 1139/4885
US-20210387980-A1 HETEROCYCLIC MITOCHONDRIAL ACTIVITY INHIBITORS AND USES THEREOF IDH2, TFAM, NUTF2 HDAC4 762/4885HDAC10 760/4885HDAC6 624/4885
US-11760754-B2 Heterocyclic mitochondrial activity inhibitors and uses thereof IDH2, TFAM, NUTF2 HDAC4 762/4885HDAC10 760/4885HDAC6 624/4885
US-20140066635-A1 Thiophene-2-carboximidamide Based Selective Neuronal Nitric Oxide Inhibitors NOS2, NOS1, NOS3 HDAC4 1661/4885HDAC10 1277/4885HDAC6 953/4885
US-20140256958-A1 Thiophene-2-carboximidamide Based Selective Neuronal Nitric Oxide Inhibitors NOS2, NOS1, NOS3 HDAC4 1661/4885HDAC10 1277/4885HDAC6 953/4885

“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.