SCHEMBL12366296

SCHEMBL12366296

[C-]#[N+]c1c(F)cccc1C1=CC(C)Oc2ccc(C(=O)O)cc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.36
MAOA P21397 1/20 0.33
BLVRB P30043 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
TTR P02766 5/20 0.32
AKR1C3 P42330 1/20 0.32
AKR1C2 P52895 1/20 0.32
PTPRC P08575 2/20 0.32
PTGER1 P34995 1/20 0.31
DPP4 P27487 1/20 0.31
LMNA P02545 1/20 0.31
MAPK1 P28482 1/20 0.31
HTT P42858 1/20 0.31
RAB9A P51151 1/20 0.31
PYGL P06737 1/20 0.31
ADORA3 P0DMS8 1/20 0.31
ADORA2A P29274 1/20 0.31
KMT2A Q03164 2/20 0.30
POLB P06746 1/20 0.30
KDM4E B2RXH2 2/20 0.30

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
SCHEMBL12366280 0.89 RAB9A (0.39) LMNAHTTRAB9APYGLKMT2A
SCHEMBL12366627 0.86 HTR2B (0.41)
SCHEMBL12366143 0.85 TDP1 (0.39) TDP1MAOABLVRBHDAC6TTR
SCHEMBL12365912 0.85 TDP1 (0.41) TDP1MAOABLVRBHDAC6TTR
SCHEMBL12366301 0.84 TTR (0.36) TDP1MAOABLVRBHDAC6TTR
SCHEMBL12366132 0.83 TTR (0.43) TDP1MAOABLVRBHDAC6TTR
SCHEMBL12366293 0.82 TDP1 (0.39) TDP1TTRPTPRCMAPK1HTT
SCHEMBL12389164 0.81 TDP1 (0.36) TDP1MAOABLVRBHDAC6TTR
SCHEMBL12366277 0.80 TDP1 (0.39) TDP1TTRPTPRCKMT2APOLB
SCHEMBL12366298 0.79 TDP1 (0.36) TDP1MAPK1ALDH1A1

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 TDP1 378/4885MAOA 20/4885BLVRB 322/4885

“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.