SCHEMBL12366247

SCHEMBL12366247

CC1C=C(c2cc(Cl)ncc2Cl)c2cc(C(=O)O)ccc2O1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NAPRT Q6XQN6 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
TSHR P16473 1/20 0.34
MAPT P10636 2/20 0.33
LRRK2 Q5S007 1/20 0.33
PLG P00747 1/20 0.33
PLAU P00749 1/20 0.33
GPBAR1 Q8TDU6 2/20 0.32
LDHA P00338 1/20 0.32
LDHB P07195 1/20 0.32
CHRM4 P08173 1/20 0.32
TTR P02766 1/20 0.32
ALDH1A1 P00352 1/20 0.31
MAPK1 P28482 1/20 0.31
MCL1 Q07820 2/20 0.31
AR P10275 1/20 0.31
SRD5A2 P31213 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
SCHEMBL12366225 0.88 ALDH1A1 (0.38) TSHRMAPTALDH1A1MAPK1MCL1
SCHEMBL12366615 0.85 HTR5A (0.40)
SCHEMBL12366227 0.82 TDP1 (0.40) TDP1TSHRMAPTTTRALDH1A1
SCHEMBL12366174 0.81 TDP1 (0.41) TDP1TSHRTTRALDH1A1MCL1
SCHEMBL12366237 0.80 TDP1 (0.39) NAPRTTDP1TSHRMAPTTTR
SCHEMBL12366205 0.80 TDP1 (0.40) TDP1TSHRTTRMCL1
SCHEMBL12366204 0.80 SRD5A2 (0.46) TDP1TSHRMAPTTTRALDH1A1
SCHEMBL12366131 0.79 DHODH (0.38) TDP1TTR
SCHEMBL12366207 0.78 TDP1 (0.41) TDP1TSHRTTRALDH1A1MAPK1
SCHEMBL12366186 0.78 TDP1 (0.41) TDP1TSHRTTRALDH1A1MAPK1

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 NAPRT 1780/4885TDP1 378/4885TSHR 821/4885

“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.