SCHEMBL2739384

SCHEMBL2739384

CC(C)(C)CCC(=O)N1CCCCC1

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.56
MEN1 O00255 3/20 0.55
KMT2A Q03164 3/20 0.55
L3MBTL1 Q9Y468 2/20 0.55
TDP1 Q9NUW8 2/20 0.55
ALDH1A1 P00352 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
HSD11B1 P28845 1/20 0.45
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C19 P33261 1/20 0.43
HPGD P15428 1/20 0.42
TSHR P16473 1/20 0.42
GAA P10253 1/20 0.42
NPC1 O15118 1/20 0.42

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
SCHEMBL13839275 0.98 ATM (0.58) ATMMEN1KMT2AL3MBTL1TDP1
SCHEMBL19169730 0.94 ATM (0.52) ATMMEN1KMT2AL3MBTL1TDP1
SCHEMBL11923449 0.88 ATM (0.63) ATMMEN1KMT2AL3MBTL1TDP1
SCHEMBL21015910 0.86 L3MBTL1 (0.65) ATMMEN1KMT2AL3MBTL1TDP1
SCHEMBL21015227 0.86 ATM (0.65) ATMMEN1KMT2AL3MBTL1TDP1
SCHEMBL13202812 0.85 L3MBTL1 (0.62) ATMMEN1KMT2AL3MBTL1TDP1
SCHEMBL21016085 0.84 L3MBTL1 (0.63) ATMMEN1KMT2AL3MBTL1TDP1
SCHEMBL21016236 0.82 L3MBTL1 (0.61) ATMMEN1KMT2AL3MBTL1TDP1
SCHEMBL19574270 0.82 L3MBTL1 (0.50) ATMMEN1KMT2AL3MBTL1TDP1
SCHEMBL26415088 0.82 L3MBTL1 (0.50) ATMMEN1KMT2AL3MBTL1TDP1

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 40 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190151403-A1 NOVEL CYCLOSPORIN DERIVATIVES AND USES THEREOF S&T GLOBAL INC. 2019-05-23 US disclosed
EP-2927217-B1 AMIDE COMPOUND AND PHARMACEUTICAL APPLICATION THEREFOR JAPAN TOBACCO INC (JP) 2018-01-17 EP disclosed
EP-2927217-B1 AMIDE COMPOUND AND PHARMACEUTICAL APPLICATION THEREFOR JAPAN TOBACCO INC (JP) 2018-01-17 EP disclosed
US-20160346256-A1 AMIDE COMPOUND AND MEDICINAL USE THEREOF JAPAN TOBACCO INC. (JP) 2016-12-01 US disclosed
US-20160346256-A1 AMIDE COMPOUND AND MEDICINAL USE THEREOF JAPAN TOBACCO INC. (JP) 2016-12-01 US disclosed
US-20160346256-A1 AMIDE COMPOUND AND MEDICINAL USE THEREOF JAPAN TOBACCO INC. (JP) 2016-12-01 US disclosed
US-20160137639-A1 TRIAZOLE-ISOXAZOLE COMPOUND AND MEDICAL USE THEREOF JAPAN TOBACCO INC. (JP) 2016-05-19 US disclosed
US-20160137639-A1 TRIAZOLE-ISOXAZOLE COMPOUND AND MEDICAL USE THEREOF JAPAN TOBACCO INC. (JP) 2016-05-19 US disclosed
US-20160137639-A1 TRIAZOLE-ISOXAZOLE COMPOUND AND MEDICAL USE THEREOF JAPAN TOBACCO INC. (JP) 2016-05-19 US disclosed
US-9284296-B2 Bipyridine sulfonamide derivatives for the treatment of neurodegenerative diseases or conditions AUBERGINE PHARMACEUTICALS LLC (US) 2016-03-15 US disclosed
US-20100093671-A1 NITROSATED NONSTEROIDAL ANTIINFLAMMATORY COMPOUNDS, COMPOSITIONS AND METHODS OF USE NICOX SA (FR) 2010-04-15 US disclosed
US-20090131342-A1 Nitrosated and/or nitrosylated compounds, compositions and methods of use NITROMED, INC. (US) 2009-05-21 US disclosed
US-20080300292-A1 Nitrosated and Nitrosylated Compounds, Compositions and Methods for the Treatment of Ophthalmic Disorders NITROMED, INC (US) 2008-12-04 US disclosed
US-7282519-B2 Nitrosated and nitrosylated diuretic compounds, compositions and methods of use NITROMED, INC. (US) 2007-10-16 US disclosed
US-20070238740-A1 Nitrosated And Nitrosylated Cardiovascular Compounds, Compositions And Methods Of Use NITROMED, INC. (US) 2007-10-11 US disclosed
US-20070179150-A1 NITROSATED PROTON PUMP INHIBITORS, COMPOSITIONS AND METHODS OF USE NITROMED, INC. (US) 2007-08-02 US disclosed
US-7211590-B2 Nitrosated proton pump inhibitors, compositions and methods of use NITROMED, INC. (US) 2007-05-01 US disclosed
US-20070037821-A1 Nitrosated glutamic acid compounds, compositions and methods of use NITROMED, INC. (US) 2007-02-15 US disclosed
US-7163958-B2 Nitrosated nonsteroidal antiinflammatory compounds, compositions and methods of use NITROMED INC. (US) 2007-01-16 US disclosed
US-20070010571-A1 Nitrosated and nitrosylated cardiovascular compounds, compositions and methods of use NITROMED, INC. (US) 2007-01-11 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 (10 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-20090131342-A1 Nitrosated and/or nitrosylated compounds, compositions and methods of use LTC4S, LTB4R2, LTB4R ATM 3709/4885MEN1 2157/4885KMT2A 4569/4885
US-20100093671-A1 NITROSATED NONSTEROIDAL ANTIINFLAMMATORY COMPOUNDS, COMPOSITIONS AND METHODS OF USE NOS2, NOS1, NOS3 ATM 3940/4885MEN1 3352/4885KMT2A 4838/4885
US-20080300292-A1 Nitrosated and Nitrosylated Compounds, Compositions and Methods for the Treatment of Ophthalmic Disorders NOS3, NOS1, NOS2 ATM 2764/4885MEN1 3066/4885KMT2A 3321/4885
US-20070179150-A1 NITROSATED PROTON PUMP INHIBITORS, COMPOSITIONS AND METHODS OF USE NOS1, PTGS1, NOS2 ATM 4387/4885MEN1 3204/4885KMT2A 4456/4885
US-20070010571-A1 Nitrosated and nitrosylated cardiovascular compounds, compositions and methods of use REN, ACE, AGTR1 ATM 2692/4885MEN1 2389/4885KMT2A 4166/4885
US-20190151403-A1 NOVEL CYCLOSPORIN DERIVATIVES AND USES THEREOF MALT1, MYLK2, FKBP1B ATM 4658/4885MEN1 369/4885KMT2A 4599/4885
US-20160346256-A1 AMIDE COMPOUND AND MEDICINAL USE THEREOF SLC10A2, SLC10A1, SLC5A11 ATM 2543/4885MEN1 1290/4885KMT2A 770/4885
US-20070238740-A1 Nitrosated And Nitrosylated Cardiovascular Compounds, Compositions And Methods Of Use REN, ECE1, EDNRA ATM 4533/4885MEN1 1130/4885KMT2A 4254/4885
US-20160137639-A1 TRIAZOLE-ISOXAZOLE COMPOUND AND MEDICAL USE THEREOF CYP3A7, CYP2C19, CYP3A5 ATM 1607/4885MEN1 1076/4885KMT2A 2409/4885
US-20070037821-A1 Nitrosated glutamic acid compounds, compositions and methods of use GLS, NOS2, NOS1 ATM 3137/4885MEN1 1735/4885KMT2A 3342/4885

“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.