SCHEMBL4541283

SCHEMBL4541283

Cn1c(OCCN2CCCC2)nc2ccc(I)cc21

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.41
TSHR P16473 1/20 0.41
RAB9A P51151 1/20 0.41
ACHE P22303 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
KDM4E B2RXH2 3/20 0.39
ALDH1A1 P00352 1/20 0.39
ESR1 P03372 1/20 0.38
PDE1A P54750 1/20 0.38
PDE1B Q01064 1/20 0.38
PDE1C Q14123 1/20 0.38
ESR2 Q92731 1/20 0.38
LTA4H P09960 2/20 0.38
POLB P06746 1/20 0.38

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
SCHEMBL4539823 0.82 NPC1 (0.40) NPC1TSHRRAB9AACHESMN1; SMN2
SCHEMBL4536226 0.74 SCN7A (0.58) NPC1TSHRRAB9ASMN1; SMN2TDP1
SCHEMBL4541853 0.73 SCN7A (0.44) NPC1TSHRRAB9ALTA4H
SCHEMBL2324209 0.70 LTA4H (0.61) TSHRSMN1; SMN2TDP1KDM4EALDH1A1
SCHEMBL4477326 0.69 LTA4H (0.62) ACHESMN1; SMN2TDP1KDM4ELTA4H
SCHEMBL6657644 0.68 MEN1 (0.45) ACHEESR1LTA4H
SCHEMBL4517043 0.68 PSMB1 (0.67) KDM4EESR1PDE1APDE1BPDE1C
SCHEMBL4524330 0.68 SMN1; SMN2 (0.49) TSHRSMN1; SMN2TDP1KDM4ELTA4H
SCHEMBL4465080 0.68 SMN1; SMN2 (0.52) TSHRSMN1; SMN2TDP1KDM4EALDH1A1
SCHEMBL4537398 0.68 SCN7A (0.52)

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.