SCHEMBL12366285

SCHEMBL12366285

[C-]#[N+]c1cc(F)ccc1C1=CC(C)Oc2ccc(C(=O)OC)cc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.37
MAPK14 Q16539 2/20 0.37
RAB9A P51151 7/20 0.35
MAPT P10636 7/20 0.35
MEN1 O00255 6/20 0.35
KMT2A Q03164 6/20 0.35
SMN1; SMN2 Q16637 5/20 0.35
NPC1 O15118 5/20 0.35
KDM4E B2RXH2 4/20 0.35
ALDH1A1 P00352 3/20 0.35
MCL1 Q07820 2/20 0.35
GAA P10253 2/20 0.35
POLB P06746 1/20 0.35
LMNA P02545 2/20 0.34
HPGD P15428 2/20 0.34
HTT P42858 2/20 0.34
TNF P01375 1/20 0.34
NR2F2 P24468 1/20 0.34
KLF5 Q13887 1/20 0.34
NOD1 Q9Y239 1/20 0.34

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
SCHEMBL12366287 0.92 PARP1 (0.37) PARP1MAPK14RAB9AMAPTMEN1
SCHEMBL12366297 0.88 TDP1 (0.39) MAPK14MEN1KMT2AKDM4EALDH1A1
SCHEMBL12366279 0.86 MEN1 (0.40) PARP1RAB9AMAPTMEN1KMT2A
SCHEMBL12365859 0.86 MAPK14 (0.41) PARP1MAPK14RAB9AMAPTMEN1
SCHEMBL12366263 0.85 PARP1 (0.40) PARP1MAPK14RAB9AMAPTMEN1
SCHEMBL12366165 0.84 PARP1 (0.39) PARP1MAPK14RAB9AMAPTMEN1
SCHEMBL12390216 0.84 PARP1 (0.39) PARP1MAPK14RAB9AMAPTMEN1
SCHEMBL12366139 0.84 PARP1 (0.40) PARP1MAPK14RAB9AMAPTMEN1
SCHEMBL12366628 0.83 HTR2B (0.38)
SCHEMBL12366248 0.83 MAPK14 (0.40) PARP1MAPK14RAB9AMAPTMEN1

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 PARP1 2039/4885MAPK14 3304/4885RAB9A 430/4885

“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.