SCHEMBL12366297

SCHEMBL12366297

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.39
ALDH1A1 P00352 3/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
GAA P10253 1/20 0.33
KMT2A Q03164 1/20 0.33
NOTUM Q6P988 1/20 0.32
MAPK14 Q16539 2/20 0.32
AKR1B1 P15121 4/20 0.32
KDM4A O75164 1/20 0.31
KDM5A P29375 1/20 0.31
KDM4C Q9H3R0 1/20 0.31
KDM5B Q9UGL1 1/20 0.31
TBXA2R P21731 2/20 0.30
NR3C2 P08235 1/20 0.30
MAPK1 P28482 1/20 0.30
TTR P02766 1/20 0.30
MAOB P27338 2/20 0.30
BCL2L1 Q07817 1/20 0.30
BAD Q92934 1/20 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
SCHEMBL12366298 0.91 TDP1 (0.36) TDP1ALDH1A1NOTUMMAPK14AKR1B1
SCHEMBL12366285 0.88 PARP1 (0.37) ALDH1A1KDM4EMEN1GAAKMT2A
SCHEMBL12366628 0.86 HTR2B (0.38)
SCHEMBL12366293 0.85 TDP1 (0.39) TDP1ALDH1A1KDM4EMEN1GAA
SCHEMBL12365914 0.85 KDM4A (0.40) TDP1ALDH1A1KDM4EMEN1KMT2A
SCHEMBL12366309 0.84 TDP1 (0.39) TDP1ALDH1A1KDM4EGAAMAPK14
SCHEMBL12366177 0.83 TDP1 (0.39) TDP1AKR1B1NR3C2TTRTSHR
SCHEMBL12366145 0.82 TDP1 (0.40) TDP1ALDH1A1NOTUMMAPK14AKR1B1
SCHEMBL12366273 0.81 TDP1 (0.39) TDP1ALDH1A1KDM4EMEN1KMT2A
SCHEMBL12390332 0.81 LMNA (0.43) TDP1KDM4EMAPK1TSHR

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 378/4885ALDH1A1 934/4885KDM4E 1455/4885

“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.