SCHEMBL12366289

SCHEMBL12366289

[C-]#[N+]c1cccc(F)c1C1=CC(C)Oc2ccc(C(=O)OC)cc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.36
NPC1 O15118 5/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
IL2 P60568 2/20 0.35
MAPK14 Q16539 2/20 0.35
KMT2A Q03164 5/20 0.34
MAPT P10636 4/20 0.34
MEN1 O00255 4/20 0.34
POLB P06746 1/20 0.34
MCL1 Q07820 1/20 0.34
ALOX5 P09917 1/20 0.33
PYGL P06737 1/20 0.33
ALDH1A1 P00352 2/20 0.32
PDK2 Q15119 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
KDM4E B2RXH2 1/20 0.31
NFKB1 P19838 1/20 0.31
HTT P42858 1/20 0.31
NFKB2 Q00653 1/20 0.31
RELA Q04206 1/20 0.31

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
SCHEMBL12366124 0.90 RAB9A (0.40) RAB9ANPC1SMN1; SMN2IL2MAPK14
SCHEMBL12366301 0.89 TTR (0.36) RAB9AHTT
SCHEMBL12366271 0.88 RAB9A (0.36) RAB9ANPC1SMN1; SMN2KMT2AMAPT
SCHEMBL12366280 0.86 RAB9A (0.39) RAB9ANPC1SMN1; SMN2IL2MAPK14
SCHEMBL12366211 0.85 IL2 (0.41) RAB9ANPC1SMN1; SMN2IL2MAPK14
SCHEMBL12366042 0.85 MAPK14 (0.44) RAB9ANPC1SMN1; SMN2IL2MAPK14
SCHEMBL12389224 0.85 PYGL (0.41) RAB9ANPC1IL2MAPK14KMT2A
SCHEMBL12366279 0.84 MEN1 (0.40) RAB9ANPC1SMN1; SMN2KMT2AMAPT
SCHEMBL12366631 0.83 HTR2B (0.45)
SCHEMBL12390007 0.82 KLKB1 (0.37) RAB9ANPC1IL2MAPK14KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110207729-A1 BICYCLIC ACYLGUANIDINE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2011-08-25 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-20110207729-A1 BICYCLIC ACYLGUANIDINE DERIVATIVE HTR5A, HTR2A, HTR1E RAB9A 430/4885NPC1 1519/4885SMN1; SMN2 3728/4885

“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.