SCHEMBL12366279

SCHEMBL12366279

[C-]#[N+]c1ccccc1C1=CC(C)Oc2ccc(C(=O)OC)cc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.40
KMT2A Q03164 5/20 0.40
RAB9A P51151 5/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
NPC1 O15118 2/20 0.39
ALOX5 P09917 1/20 0.39
PDK2 Q15119 2/20 0.37
MAPT P10636 2/20 0.36
POLB P06746 1/20 0.36
MCL1 Q07820 1/20 0.36
ALDH1A1 P00352 2/20 0.35
TRPA1 O75762 1/20 0.34
PTGS2 P35354 1/20 0.34
CDC25B P30305 2/20 0.34
PARP1 P09874 1/20 0.34
PTPRC P08575 1/20 0.34
PTPRF P10586 1/20 0.34
PTPN1 P18031 1/20 0.34
TSHR P16473 1/20 0.33
CDC25A P30304 1/20 0.33

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
SCHEMBL12366293 0.87 TDP1 (0.39) MEN1KMT2ARAB9AALOX5PDK2
SCHEMBL12366287 0.86 PARP1 (0.37) MEN1KMT2ARAB9ASMN1; SMN2NPC1
SCHEMBL12366285 0.86 PARP1 (0.37) MEN1KMT2ARAB9ASMN1; SMN2NPC1
SCHEMBL12366271 0.84 RAB9A (0.36) MEN1KMT2ARAB9ASMN1; SMN2NPC1
SCHEMBL12366289 0.84 RAB9A (0.36) MEN1KMT2ARAB9ASMN1; SMN2NPC1
SCHEMBL12366280 0.84 RAB9A (0.39) MEN1KMT2ARAB9ASMN1; SMN2NPC1
SCHEMBL12365205 0.84 MEN1 (0.43) MEN1KMT2ARAB9ASMN1; SMN2NPC1
SCHEMBL12389982 0.84 HCRTR1 (0.43) MEN1KMT2ARAB9ASMN1; SMN2NPC1
SCHEMBL12389879 0.83 MEN1 (0.42) MEN1KMT2ARAB9ASMN1; SMN2NPC1
SCHEMBL12365856 0.83 NPC1 (0.45) MEN1KMT2ARAB9ASMN1; SMN2NPC1

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 MEN1 4480/4885KMT2A 2505/4885RAB9A 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.