SCHEMBL5560009

SCHEMBL5560009

N/C1=N/CCCCCCCC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 18/20 1.00
NOS2 P35228 17/20 1.00
NOS3 P29474 16/20 1.00
MEN1 O00255 1/20 0.94
KMT2A Q03164 1/20 0.94
HSD17B10 Q99714 1/20 0.94
USP2 O75604 1/20 0.36
INMT O95050 1/20 0.36
ALDH1A1 P00352 1/20 0.35

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
SCHEMBL5560420 1.00
SCHEMBL14828479 1.00 NOS1 (1.00) NOS1NOS2NOS3MEN1KMT2A
SCHEMBL13973780 1.00 NOS1 (1.00) NOS1NOS2NOS3MEN1KMT2A
SCHEMBL5560012 1.00 NOS1 (1.00) NOS1NOS2NOS3MEN1KMT2A
SCHEMBL5560014 1.00 NOS1 (1.00) NOS1NOS2NOS3MEN1KMT2A
SCHEMBL2661739 1.00 NOS1 (1.00) NOS1NOS2NOS3MEN1KMT2A
SCHEMBL5560414 1.00
SCHEMBL3087974 1.00
SCHEMBL12826895 1.00 NOS1 (1.00) NOS1NOS2NOS3MEN1KMT2A
SCHEMBL574735 0.97

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070155712-A1 Compounds for the inhibition of angiogenesis and use thereof JERINI AG (DE) 2007-07-05 US claimed
WO-2005090329-A9 NEW COMPOUNDS FOR THE INHIBITION OF ANGIOGENESIS AND USE OF THEREOF JERINI AG (DE) 2007-02-01 WO claimed
EP-1727811-A1 NEW COMPOUNDS FOR THE INHIBITION OF ANGIOGENESIS AND USE OF THEREOF Jerini AG (DE) 2006-12-06 EP claimed
WO-2005090329-A1 NEW COMPOUNDS FOR THE INHIBITION OF ANGIOGENESIS AND USE OF THEREOF JERINI AG (DE) 2005-09-29 WO claimed
US-20210221825-A1 NOVEL HETEROCYCLIC SYSTEMS AND PHARMACEUTICAL COMPOSITIONS THEREOF UNIVERSITY OF SHARJAH (AE) 2021-07-22 US disclosed
US-20200317692-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2020-10-08 US disclosed
US-RE47689-E1 Compounds for treating spinal muscular atrophy PTC THERAPEUTICS, INC. (US) 2019-11-05 US disclosed
US-20190292204-A1 NOVEL HETEROCYCLIC SYSTEMS AND PHARMACEUTICAL COMPOSITIONS THEREOF UNIVERSITY OF SHARJAH (AE) 2019-09-26 US disclosed
US-20190292202-A1 NOVEL HETEROCYCLIC SYSTEMS AND PHARMACEUTICAL APPLICATIONS THEREOF UNIVERSITY OF SHARJAH (AE) 2019-09-26 US disclosed
US-9617268-B2 Compounds for treating spinal muscular atrophy PTC THERAPEUTICS, INC. (US) 2017-04-11 US disclosed
US-20150119380-A1 COMPOUNDS FOR TREATING SPINAL MUSCULAR ATROPHY F. HOFFMANN-LA ROCHE AG (CH) 2015-04-30 US disclosed
US-8765789-B2 2-pyridinecarboxamide derivatives MSD K.K. (JP) 2014-07-01 US disclosed
US-8501787-B2 Compounds for the inhibition of angiogenesis and use thereof SHIRE ORPHAN THERAPIES GMBH (DE) 2013-08-06 US disclosed
US-20130085156-A1 NOVEL 2-PYRIDINECARBOXAMIDE DERIVATIVES MSD K.K. (JP) 2013-04-04 US disclosed
US-20090005391-A1 Tricyclo Substituted Amides PROSIDION LIMITED (GB) 2009-01-01 US disclosed
US-20070155712-A1 Compounds for the inhibition of angiogenesis and use thereof JERINI AG (DE) 2007-07-05 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 (8 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-20090005391-A1 Tricyclo Substituted Amides GPR119, SLC5A2, SLC5A1 NOS1 1586/4885NOS2 1230/4885NOS3 1717/4885
US-20200317692-A1 HETEROCYCLIC COMPOUND AND USE THEREOF GRIN1, GRIN2C, GRIN2A NOS1 418/4885NOS2 575/4885NOS3 641/4885
US-20210221825-A1 NOVEL HETEROCYCLIC SYSTEMS AND PHARMACEUTICAL COMPOSITIONS THEREOF FPGS, TXNRD1, TXNRD3 NOS1 2203/4885NOS2 1922/4885NOS3 1246/4885
US-20190292202-A1 NOVEL HETEROCYCLIC SYSTEMS AND PHARMACEUTICAL APPLICATIONS THEREOF HMBS, SBDS, TMPRSS15 NOS1 4497/4885NOS2 3934/4885NOS3 4025/4885
US-20130085156-A1 NOVEL 2-PYRIDINECARBOXAMIDE DERIVATIVES GCKR, GCK, HK2 NOS1 1423/4885NOS2 1120/4885NOS3 1046/4885
US-20150119380-A1 COMPOUNDS FOR TREATING SPINAL MUSCULAR ATROPHY SMN1; SMN2, RBM17, RBM22 NOS1 1863/4885NOS2 1880/4885NOS3 1827/4885
US-20070155712-A1 Compounds for the inhibition of angiogenesis and use thereof ITGAV, VCAM1, ITGA5 NOS1 1225/4885NOS2 1034/4885NOS3 1193/4885
US-20190292204-A1 NOVEL HETEROCYCLIC SYSTEMS AND PHARMACEUTICAL COMPOSITIONS THEREOF FPGS, TXNRD1, TXNRD3 NOS1 2203/4885NOS2 1922/4885NOS3 1246/4885

“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.