SCHEMBL12366261

SCHEMBL12366261

CC1C=C(c2c(F)cncc2F)c2cc(C(=O)O)ccc2O1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.39
AR P10275 1/20 0.34
MAPK1 P28482 2/20 0.34
HCAR2 Q8TDS4 2/20 0.34
LMNA P02545 2/20 0.34
HTT P42858 1/20 0.34
RAB9A P51151 1/20 0.34
SLC22A12 Q96S37 1/20 0.34
CSNK2A2 P19784 1/20 0.33
CSNK2B P67870 1/20 0.33
ALDH1A1 P00352 1/20 0.33
ROCK2 O75116 3/20 0.32
ADH5 P11766 2/20 0.32
TTR P02766 1/20 0.32
DPP4 P27487 1/20 0.31
AKR1B1 P15121 1/20 0.31
NR1H4 Q96RI1 1/20 0.31
TBXAS1 P24557 1/20 0.31
GPBAR1 Q8TDU6 1/20 0.31

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
SCHEMBL12365552 0.88 TDP1 (0.41) TDP1MAPK1LMNAHTTRAB9A
SCHEMBL12366046 0.88 TDP1 (0.41) TDP1MAPK1LMNAHTTRAB9A
SCHEMBL12366132 0.88 TTR (0.43) TDP1MAPK1LMNAHTTRAB9A
SCHEMBL12366025 0.88 TDP1 (0.41) TDP1MAPK1LMNAHTTRAB9A
SCHEMBL12366260 0.87 CYP1A2 (0.37) MAPK1RAB9AALDH1A1ROCK2
SCHEMBL12366635 0.84 HTR5A (0.49)
SCHEMBL12366201 0.83 LMNA (0.45) TDP1ARMAPK1LMNAHTT
SCHEMBL12366182 0.81 TDP1 (0.42) TDP1MAPK1LMNAHTTRAB9A
SCHEMBL12366307 0.81 TDP1 (0.38) TDP1MAPK1LMNAHTTRAB9A
SCHEMBL12366228 0.81 TTR (0.40) TDP1TTRDPP4NR1H4

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 378/4885AR 780/4885MAPK1 3710/4885

“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.