SCHEMBL12366237

SCHEMBL12366237

CC1C=C(c2ccc(Cl)nc2Cl)c2cc(C(=O)O)ccc2O1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.39
TTR P02766 3/20 0.35
NAPRT Q6XQN6 1/20 0.33
KDM4E B2RXH2 3/20 0.33
ALB P02768 1/20 0.33
MAOA P21397 1/20 0.33
CNR1 P21554 1/20 0.33
DRD1 P21728 1/20 0.33
OPRD1 P41143 1/20 0.33
PDE4D Q08499 1/20 0.33
PDE3A Q14432 1/20 0.33
RECQL P46063 1/20 0.33
CDH1 P12830 1/20 0.33
APC P25054 1/20 0.33
CTNNB1 P35222 1/20 0.33
TCF7L2 Q9NQB0 1/20 0.33
ALDH1A1 P00352 3/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
NPC1 O15118 2/20 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
SCHEMBL12366224 0.87 L3MBTL1 (0.37) ALDH1A1MEN1KMT2ANPC1RAB9A
SCHEMBL12366612 0.85 HTR2B (0.40)
SCHEMBL12366131 0.82 DHODH (0.38) TDP1TTRMEN1KMT2ARAB9A
SCHEMBL12366204 0.81 SRD5A2 (0.46) TDP1TTRKDM4EALDH1A1NPC1
SCHEMBL12366247 0.80 NAPRT (0.38) TDP1TTRNAPRTALDH1A1SRD5A2
SCHEMBL12366231 0.80 SRD5A2 (0.41) TDP1TTRKDM4EALDH1A1NPC1
SCHEMBL12366174 0.79 TDP1 (0.41) TDP1TTRKDM4EALDH1A1MEN1
SCHEMBL12366177 0.79 TDP1 (0.39) TDP1TTRSRD5A2TSHRRARA
SCHEMBL12366009 0.79 SRD5A2 (0.40) TDP1TTRSRD5A1SRD5A2TSHR
SCHEMBL12366227 0.78 TDP1 (0.40) TDP1TTRKDM4EALDH1A1NPC1

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 378/4885TTR 3588/4885NAPRT 1780/4885

“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.