SCHEMBL1636839

SCHEMBL1636839

O=[N+]([O-])c1ccc2nc(-c3ccsc3)sc2c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNE1 P24864 1/20 0.60
CDK2 P24941 1/20 0.60
CDK5 Q00535 1/20 0.60
CDK5R1 Q15078 1/20 0.60
SMN1; SMN2 Q16637 3/20 0.56
ALDH1A1 P00352 2/20 0.56
HTT P42858 2/20 0.56
CYP3A4 P08684 1/20 0.56
TSHR P16473 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
PDK1 Q15118 1/20 0.55
APP P05067 1/20 0.53
MMP2 P08253 1/20 0.53
MMP9 P14780 1/20 0.53
MMP8 P22894 1/20 0.53
MMP13 P45452 1/20 0.53
ILK Q13418 1/20 0.53
CA2 P00918 1/20 0.51
CA5A P35218 1/20 0.51
NPC1 O15118 2/20 0.49

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
SCHEMBL1996999 0.84 APP (0.73) CCNE1CDK2CDK5CDK5R1SMN1; SMN2
SCHEMBL2136576 0.82 APP (0.69) CCNE1CDK2CDK5CDK5R1SMN1; SMN2
SCHEMBL3196637 0.80 APP (0.62) CCNE1CDK2CDK5CDK5R1SMN1; SMN2
SCHEMBL10032126 0.80 MAPT (0.70) CCNE1CDK2CDK5CDK5R1SMN1; SMN2
SCHEMBL2628260 0.79 APP (0.73) CCNE1CDK2CDK5CDK5R1SMN1; SMN2
SCHEMBL25028306 0.77 KDM4E (0.43) SMN1; SMN2ALDH1A1APPNPC1RAB9A
SCHEMBL4298752 0.77 SMN1; SMN2 (0.60) CCNE1CDK2CDK5CDK5R1SMN1; SMN2
SCHEMBL19243901 0.76 SULT1A1 (0.62) CCNE1CDK2CDK5CDK5R1SMN1; SMN2
SCHEMBL11784834 0.76 RAB9A (0.58) CCNE1CDK2CDK5CDK5R1SMN1; SMN2
SCHEMBL17199066 0.76 APP (0.58) CCNE1CDK2CDK5CDK5R1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110098292-A1 New Compounds Useful for Treating CNS Disorders ASTRAZENECA AB (SE) 2011-04-28 US claimed
CN-1980922-A New compounds useful for treating CNS disorders ASTRAZENECA AB (SE) 2007-06-13 CN claimed
EP-1765815-A2 NEW COMPOUNDS USEFUL FOR TREATING CNS DISORDERS AstraZeneca AB (SE) 2007-03-28 EP claimed
WO-2006004507-A2 NEW BENZOTHIAZOLE DERIVATIVES USEFUL FOR TREATING CNS DISORDERS ASTRAZENECA AB (SE) 2006-01-12 WO claimed
US-20110098292-A1 New Compounds Useful for Treating CNS Disorders ASTRAZENECA AB (SE) 2011-04-28 US disclosed
CN-1980922-A New compounds useful for treating CNS disorders ASTRAZENECA AB (SE) 2007-06-13 CN disclosed
EP-1765815-A2 NEW COMPOUNDS USEFUL FOR TREATING CNS DISORDERS AstraZeneca AB (SE) 2007-03-28 EP disclosed
WO-2006004507-A2 NEW BENZOTHIAZOLE DERIVATIVES USEFUL FOR TREATING CNS DISORDERS ASTRAZENECA AB (SE) 2006-01-12 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 (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-20110098292-A1 New Compounds Useful for Treating CNS Disorders SLC18A2, PMP22, GAP43 CCNE1 4159/4885CDK2 2526/4885CDK5 532/4885

“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.