SCHEMBL2789986

SCHEMBL2789986

CC(=O)NCc1nnn[nH]1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.39
KMT2A Q03164 1/20 0.34
SETDB1 Q15047 4/20 0.34
ALDH1A1 P00352 2/20 0.34
MAPT P10636 2/20 0.34
KDM4E B2RXH2 2/20 0.34
ELANE P08246 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
ALOX15 P16050 1/20 0.32
POLB P06746 1/20 0.32
RAB9A P51151 1/20 0.32
MAPK1 P28482 1/20 0.31
HIF1A Q16665 1/20 0.31
QPCT Q16769 1/20 0.31
QPCTL Q9NXS2 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
HTT P42858 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
SCHEMBL1260251 0.81 CYP2C9 (0.35) POLB
SCHEMBL15597699 0.81
SCHEMBL5632317 0.81
SCHEMBL16921975 0.80 TSHR (0.36)
SCHEMBL19626545 0.80
SCHEMBL10265493 0.80 CACNA1B (0.39) MAPTKDM4EHDAC6POLBL3MBTL1
SCHEMBL13880437 0.79 KDM4E (0.44) KDM4EMAPK1HIF1AQPCTQPCTL
SCHEMBL16925549 0.78
SCHEMBL19221177 0.78 MAPT (0.41) ALDH1A1MAPT
SCHEMBL8739775 0.76 KDM4E (0.48) NPSR1KMT2AALDH1A1KDM4EL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100163070-A1 METHOD FOR STRAIGHTENING KERATINOUS FIBRES USING HEATING MEANS AND AN AMIDE L'OREAL S.A. (FR) 2010-07-01 US claimed
US-20090018123-A1 Oxazolidinones Bearing Antimicrobial Activity Composition and Methods of Preparation SINDKHEDKAR MILIND D 2009-01-15 US claimed
EP-1912980-A2 OXAZOLIDINONES BEARING ANTIMICROBIAL ACTIVITY COMPOSITION AND METHODS OF PREPARATION Wockhardt Limited (IN) 2008-04-23 EP claimed
WO-2007023507-A2 OXAZOLIDINONES BEARING ANTIMICROBIAL ACTIVITY COMPOSITION AND METHODS OF PREPARATION WOCKHARDT LIMITED (IN) 2007-03-01 WO claimed
US-11399611-B2 Process for straightening keratin fibres with a heating means and denaturing agents L'OREAL (FR) 2022-08-02 US disclosed
EP-3815689-A1 ARENAVIRUS GROWTH INHIBITOR COMPRISING POLYCYCLIC CARBAMOYL PYRIDONE DERIVATIVE National University Corporation Hokkaido University (JP) 2021-05-05 EP disclosed
EP-2877457-B1 CYSTATHIONINE-GAMMA-LYASE (CSE) INHIBITORS SOVA PHARMACEUTICALS INC (US) 2020-09-23 EP disclosed
US-20190125051-A1 PROCESS FOR STRAIGHTENING KERATIN FIBRES WITH A HEATING MEANS AND DENATURING AGENTS L'OREAL (FR) 2019-05-02 US disclosed
US-10092490-B2 Method for straightening keratinous fibres using heating means and an amide L'OREAL (FR) 2018-10-09 US disclosed
US-20170362234-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2017-12-21 US disclosed
US-20170334866-A1 CYSTATHIONINE-GAMMA-LYASE (CSE) INHIBITORS SOVA PHARMACEUTICALS, INC. 2017-11-23 US disclosed
US-20170327478-A1 CYSTATHIONINE-GAMMA-LYASE (CSE) INHIBITORS SOVA PHARMACEUTICALS, INC. 2017-11-16 US disclosed
US-20070043069-A1 3-Amino-3,4-dihydro-1,5-naphthyridin-2(1H)-one and its dihydrochloride; intermediates for producing naphthyridinylaminocarbonyl-substituted pyrrolothiopyrans and imidazolothiopyrans ASTRAZENECA AB (SE) 2007-02-22 US disclosed
US-20070032488-A1 6-Membered aryl and heteroaryl derivatives for treating viruses GENELABS TECHNOLOGIES, INC. 2007-02-08 US disclosed
US-7169927-B2 Indole-amide derivatives and their use as glycogen phosphorylase inhibitors ASTRAZENECA AB (SE) 2007-01-30 US disclosed
US-7129249-B2 Heterocyclic amide derivatives as inhibitors of glycogen phoshorylase ASTRAZENECA AB (SE) 2006-10-31 US disclosed
US-20050131016-A1 Chemical compounds ASTRAZENECA AB (SE) 2005-06-16 US disclosed
US-20050131015-A1 Heterocyclic amide derivatives as inhibitors of glycogen phoshorylase ASTRAZENECA AB (SE) 2005-06-16 US disclosed
EP-1485371-A2 INDOLE AMIDE DERIVATIVES AND THEIR USE AS GLYCOGEN PHOSPHORYLASE INHIBITORS AstraZeneca AB (SE) 2004-12-15 EP disclosed
WO-2003074513-A2 INDOLE AMIDE DERIVATIVES AND THEIR USE AS GLYCOGEN PHOSPHORYLASE INHIBITORS ASTRAZENECA AB (SE) 2003-09-12 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 (11 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-11399611-B2 Process for straightening keratin fibres with a heating means and denaturing agents KRT18, KRTCAP2, TUBB4A NPSR1 4818/4885KMT2A 1602/4885SETDB1 1715/4885
US-20070043069-A1 3-Amino-3,4-dihydro-1,5-naphthyridin-2(1H)-one and its dihydrochloride; intermediates for producing naphthyridinylaminocarbonyl-substituted pyrrolothiopyrans and imidazolothiopyrans PYGL, PYGM, GYS1 NPSR1 1571/4885KMT2A 4618/4885SETDB1 4859/4885
US-20170334866-A1 CYSTATHIONINE-GAMMA-LYASE (CSE) INHIBITORS CBS, CTH, BHMT NPSR1 2270/4885KMT2A 1413/4885SETDB1 3434/4885
US-20170327478-A1 CYSTATHIONINE-GAMMA-LYASE (CSE) INHIBITORS CBS, CTH, BHMT NPSR1 2270/4885KMT2A 1413/4885SETDB1 3434/4885
US-20050131015-A1 Heterocyclic amide derivatives as inhibitors of glycogen phoshorylase PYGL, GYS2, GYS1 NPSR1 1285/4885KMT2A 3909/4885SETDB1 4574/4885
US-20050131016-A1 Chemical compounds PYGL, GYS1, CA9 NPSR1 2104/4885KMT2A 3350/4885SETDB1 4118/4885
US-20090018123-A1 Oxazolidinones Bearing Antimicrobial Activity Composition and Methods of Preparation POLL, POLM, POLRMT NPSR1 4832/4885KMT2A 4128/4885SETDB1 4308/4885
US-20190125051-A1 PROCESS FOR STRAIGHTENING KERATIN FIBRES WITH A HEATING MEANS AND DENATURING AGENTS KRT18, KRTCAP2, TUBB4A NPSR1 4818/4885KMT2A 1602/4885SETDB1 1715/4885
US-20170362234-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 NPSR1 3185/4885KMT2A 1870/4885SETDB1 475/4885
US-20070032488-A1 6-Membered aryl and heteroaryl derivatives for treating viruses HAVCR2, MAVS, EIF2AK2 NPSR1 4205/4885KMT2A 1600/4885SETDB1 3926/4885
US-10092490-B2 Method for straightening keratinous fibres using heating means and an amide KRT18, TUBB3, KIF5C NPSR1 4291/4885KMT2A 863/4885SETDB1 1272/4885

“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.