SCHEMBL12366293

SCHEMBL12366293

[C-]#[N+]c1ccccc1C1=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
TTR P02766 1/20 0.38
PTPRC P08575 2/20 0.37
KMT2A Q03164 3/20 0.35
POLB P06746 1/20 0.35
ALDH1A1 P00352 3/20 0.34
MEN1 O00255 2/20 0.34
KDM4E B2RXH2 1/20 0.34
GAA P10253 1/20 0.34
ALOX5 P09917 1/20 0.33
SRD5A2 P31213 2/20 0.33
SRD5A1 P18405 1/20 0.33
NR1H2 P55055 1/20 0.32
NR1H3 Q13133 1/20 0.32
PDK2 Q15119 1/20 0.32
MAPK1 P28482 1/20 0.32
PKM P14618 1/20 0.32
HTT P42858 1/20 0.32
RAB9A P51151 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32

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
SCHEMBL12366279 0.87 MEN1 (0.40) PTPRCKMT2APOLBALDH1A1MEN1
SCHEMBL12366298 0.85 TDP1 (0.36) TDP1ALDH1A1MAPK1
SCHEMBL12366297 0.85 TDP1 (0.39) TDP1TTRKMT2AALDH1A1MEN1
SCHEMBL12366626 0.85 HTR2B (0.45)
SCHEMBL12366301 0.83 TTR (0.36) TDP1TTRMAPK1HTTRAB9A
SCHEMBL12365227 0.83 TDP1 (0.42) TDP1TTRPTPRCKMT2APOLB
SCHEMBL12366296 0.82 TDP1 (0.36) TDP1TTRPTPRCKMT2APOLB
SCHEMBL12366311 0.82 LMNA (0.38) TDP1TTRMAPK1HTTRAB9A
SCHEMBL12365912 0.81 TDP1 (0.41) TDP1TTRPTPRCKMT2APOLB
SCHEMBL12366174 0.81 TDP1 (0.41) TDP1TTRPTPRCKMT2APOLB

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 378/4885TTR 3588/4885PTPRC 3006/4885

“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.