SCHEMBL12366298

SCHEMBL12366298

[C-]#[N+]c1ccc(F)cc1C1=CC(C)Oc2ccc(C(=O)O)cc21

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.36
NOTUM Q6P988 1/20 0.32
AKR1B1 P15121 4/20 0.32
MAPK14 Q16539 1/20 0.31
ALDH1A1 P00352 1/20 0.30
MAPK1 P28482 1/20 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
SCHEMBL12366297 0.91 TDP1 (0.39) TDP1NOTUMAKR1B1MAPK14ALDH1A1
SCHEMBL12366287 0.88 PARP1 (0.37) MAPK14ALDH1A1MAPK1
SCHEMBL12366629 0.86 SLC9A1 (0.37)
SCHEMBL12366293 0.85 TDP1 (0.39) TDP1ALDH1A1MAPK1
SCHEMBL12366145 0.85 TDP1 (0.40) TDP1NOTUMAKR1B1MAPK14ALDH1A1
SCHEMBL12366273 0.84 TDP1 (0.39) TDP1AKR1B1MAPK14ALDH1A1
SCHEMBL12365914 0.82 KDM4A (0.40) TDP1AKR1B1MAPK14ALDH1A1MAPK1
SCHEMBL12366309 0.81 TDP1 (0.39) TDP1AKR1B1MAPK14ALDH1A1
SCHEMBL12389148 0.81 LMNA (0.46) TDP1MAPK1
SCHEMBL12366177 0.81 TDP1 (0.39) TDP1AKR1B1

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 378/4885NOTUM 1719/4885AKR1B1 740/4885

“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.