SCHEMBL12366143

SCHEMBL12366143

CC1C=C(c2cccc(F)c2F)c2cc(C(=O)O)ccc2O1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.39
HDAC6 Q9UBN7 2/20 0.36
MAOA P21397 1/20 0.36
BLVRB P30043 1/20 0.36
TTR P02766 5/20 0.35
PTPRC P08575 2/20 0.35
MAPK1 P28482 2/20 0.34
LMNA P02545 1/20 0.34
HTT P42858 1/20 0.34
RAB9A P51151 1/20 0.34
PTGER1 P34995 1/20 0.34
KMT2A Q03164 2/20 0.33
RIPK1 Q13546 1/20 0.33
DPP4 P27487 1/20 0.33
POLB P06746 1/20 0.33
CSNK2A1 P68400 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC8 Q9BY41 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
SCHEMBL12365912 0.90 TDP1 (0.41) TDP1HDAC6MAOABLVRBTTR
SCHEMBL12366277 0.89 TDP1 (0.39) TDP1TTRPTPRCKMT2APOLB
SCHEMBL12366147 0.88 KMO (0.39) TDP1TTRPTPRCCSNK2A1
SCHEMBL12366132 0.88 TTR (0.43) TDP1HDAC6MAOABLVRBTTR
SCHEMBL12366136 0.87 RAB9A (0.41) LMNAHTTRAB9AKMT2APOLB
SCHEMBL12390325 0.86 LMNA (0.42) TDP1TTRMAPK1LMNAHTT
SCHEMBL12389164 0.86 TDP1 (0.36) TDP1HDAC6MAOABLVRBTTR
SCHEMBL12366296 0.85 TDP1 (0.36) TDP1HDAC6MAOABLVRBTTR
SCHEMBL12366595 0.84 SLC9A1 (0.46)
SCHEMBL12366182 0.84 TDP1 (0.42) TDP1TTRPTPRCMAPK1LMNA

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 2 patents. 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
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 378/4885HDAC6 220/4885MAOA 20/4885

“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.