SCHEMBL4539823

SCHEMBL4539823

Cn1c(OCCN2CCCC2)nc2ccc([Sn](C)(C)C)cc21

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.40
TSHR P16473 1/20 0.40
RAB9A P51151 1/20 0.40
ACHE P22303 2/20 0.39
ESR1 P03372 1/20 0.38
HRH3 Q9Y5N1 5/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
TDP1 Q9NUW8 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LTA4H P09960 1/20 0.36

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
SCHEMBL4541283 0.82 NPC1 (0.41) NPC1TSHRRAB9AACHEESR1
SCHEMBL4537239 0.76 SCN7A (0.42) NPC1TSHRRAB9ALTA4H
SCHEMBL6657644 0.67 MEN1 (0.45) ACHEESR1LTA4H
SCHEMBL10812265 0.64 LTA4H (0.56) NPC1TSHRRAB9AHRH3LTA4H
SCHEMBL30225369 0.63 LTA4H (0.54) SMN1; SMN2KDM4EALDH1A1LTA4H
Hydrochloric Acid SCHEMBL10814604 0.62 LTA4H (0.55) NPC1TSHRRAB9AHRH3LTA4H
SCHEMBL9827046 0.62 MAOB (0.58) NPC1TSHRRAB9AHRH3LTA4H
SCHEMBL16621346 0.62 LTA4H (0.46) NPC1TSHRRAB9AHRH3KDM4E
Hydrochloric Acid SCHEMBL4576347 0.62 MAOB (0.56) NPC1TSHRRAB9AHRH3LTA4H
SCHEMBL31140559 0.61 LGALS8 (0.45)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090264426-A1 Bicyclic aromatic substituted pyridone derivative MSD K.K. (JP) 2009-10-22 US disclosed
EP-1939194-A1 BICYCLIC AROMATIC SUBSTITUTED PYRIDONE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2008-07-02 EP 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-20090264426-A1 Bicyclic aromatic substituted pyridone derivative PYCR1, CHRM1, MTR NPC1 3130/4885TSHR 1381/4885RAB9A 4390/4885

“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.