SCHEMBL2600845

SCHEMBL2600845

CC(C)(C)OC(=O)Nc1nc(C[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2O)cs1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SIRT1 Q96EB6 1/20 0.49
PI4KB Q9UBF8 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
KMT2A Q03164 1/20 0.38
CCR2 P41597 4/20 0.36
ACKR3 P25106 1/20 0.36
ADRA2B P18089 1/20 0.35
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35
TMEM97 Q5BJF2 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
GPR119 Q8TDV5 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
NAMPT P43490 1/20 0.35
IRAK4 Q9NWZ3 1/20 0.35
NR1H2 P55055 1/20 0.34

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
SCHEMBL2600849 0.82 SIRT1 (0.46) SIRT1PI4KBSMN1; SMN2KMT2ACCR2
SCHEMBL2600847 0.82 SIRT1 (0.46) SIRT1PI4KBSMN1; SMN2KMT2ACCR2
SCHEMBL2600846 0.82 SIRT1 (0.47) SIRT1PI4KBSMN1; SMN2KMT2ACCR2
SCHEMBL2600850 0.81 SIRT1 (0.37) SIRT1ACKR3NAMPTNR1H2
SCHEMBL2600851 0.81 SIRT1 (0.46) SIRT1PI4KBSMN1; SMN2KMT2ACCR2
SCHEMBL2600855 0.81 SIRT1 (0.46) SIRT1PI4KBSMN1; SMN2KMT2ACCR2
SCHEMBL2600853 0.81 SIRT1 (0.53) SIRT1SMN1; SMN2KMT2ACCR2NPC1
SCHEMBL2600852 0.81 SIRT1 (0.53) SIRT1SMN1; SMN2KMT2ACCR2NPC1
SCHEMBL2600830 0.80 NAMPT (0.40) SIRT1CCR2NAMPTNR1H2
SCHEMBL2600833 0.80 NAMPT (0.40) SIRT1CCR2NAMPTNR1H2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8158658-B2 Heteroaromatic selective inhibitors of neuronal nitric oxide synthase NORTHWESTERN UNIVERSITY (US) 2012-04-17 US disclosed
US-8158658-B2 Heteroaromatic selective inhibitors of neuronal nitric oxide synthase NORTHWESTERN UNIVERSITY (US) 2012-04-17 US disclosed
US-7994326-B2 For treatment of various forms of neurodegeneration, including that from stroke, Alzheimer's disease, Parkinson's disease, and Huntington's disease NORTHWESTERN UNIVERSITY (US) 2011-08-09 US disclosed
US-7994326-B2 For treatment of various forms of neurodegeneration, including that from stroke, Alzheimer's disease, Parkinson's disease, and Huntington's disease NORTHWESTERN UNIVERSITY (US) 2011-08-09 US disclosed
US-20090104677-A1 Heteroaromatic Selective Inhibitors of Neuronal Nitric Oxide Synthase NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-04-23 US disclosed
US-20090104677-A1 Heteroaromatic Selective Inhibitors of Neuronal Nitric Oxide Synthase NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-04-23 US disclosed
US-7470790-B2 Heteroaromatic selective inhibitors of neuronal nitric oxide synthase NORTHWESTERN UNIVERSITY (US) 2008-12-30 US disclosed
US-7470790-B2 Heteroaromatic selective inhibitors of neuronal nitric oxide synthase NORTHWESTERN UNIVERSITY (US) 2008-12-30 US disclosed
US-20080108814-A1 Potent and highly selective heteroaromatic inhibitors of neuronal nitric oxide synthase NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2008-05-08 US disclosed
US-20080108814-A1 Potent and highly selective heteroaromatic inhibitors of neuronal nitric oxide synthase NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2008-05-08 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 (1 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-20080108814-A1 Potent and highly selective heteroaromatic inhibitors of neuronal nitric oxide synthase NOS1, NOS2, NOS3 SIRT1 457/4885PI4KB 4154/4885SMN1; SMN2 125/4885

“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.