SCHEMBL12366172

SCHEMBL12366172

CC1C=C(c2ccc(F)nc2)c2cc(C(=O)O)ccc2O1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.38
MAP4K4 O95819 6/20 0.37
ABL1 P00519 1/20 0.35
DHODH Q02127 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2A6 P11509 1/20 0.34
CYP2B6 P20813 1/20 0.34
CYP2C19 P33261 1/20 0.34
ALOX5AP P20292 1/20 0.34
AR P10275 1/20 0.33
RARA P10276 2/20 0.33
RARB P10826 2/20 0.33
RARG P13631 2/20 0.33
SSTR5 P35346 1/20 0.33
MAPK1 P28482 1/20 0.33
MAP2K4 P45985 1/20 0.33
MAPK6 Q16659 1/20 0.33
FEN1 P39748 1/20 0.32
AXL P30530 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
SCHEMBL12366160 0.88 ABL1 (0.41) ABL1MAPK1MAP2K4
SCHEMBL12366604 0.85 HTR5A (0.41)
SCHEMBL12365904 0.84 BCL2L1 (0.45) TDP1MAP4K4ARRARARARB
SCHEMBL12366209 0.82 TDP1 (0.40) TDP1RARARARBRARGMAPK1
SCHEMBL12366261 0.81 TDP1 (0.39) TDP1ARMAPK1
SCHEMBL12366134 0.80 KMO (0.49) TDP1ABL1AR
SCHEMBL12365222 0.80 TDP1 (0.44) TDP1ARRARARARBRARG
SCHEMBL12366167 0.79 TDP1 (0.42) TDP1ARRARARARBRARG
SCHEMBL12366145 0.77 TDP1 (0.40) TDP1DHODHMAPK1
SCHEMBL12365914 0.77 KDM4A (0.40) TDP1RARBMAPK1

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 378/4885MAP4K4 4109/4885ABL1 4708/4885

“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.