SCHEMBL12366169

SCHEMBL12366169

CC1C=C(c2cccnc2F)c2cc(C(=O)O)ccc2O1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.38
NAPRT Q6XQN6 1/20 0.38
POLB P06746 1/20 0.36
DHODH Q02127 4/20 0.35
KMT2A Q03164 2/20 0.35
TTR P02766 1/20 0.34
TBXAS1 P24557 1/20 0.34
TBXA2R P21731 1/20 0.34
BACE1 P56817 2/20 0.33
PTPRC P08575 1/20 0.33
MEN1 O00255 1/20 0.33
SMN1; SMN2 Q16637 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
SCHEMBL12366157 0.88 ALOX15 (0.43) POLBKMT2AMEN1SMN1; SMN2
SCHEMBL12366131 0.86 DHODH (0.38) TDP1POLBDHODHKMT2ATTR
SCHEMBL12366599 0.85 HTR2B (0.42)
SCHEMBL12365912 0.83 TDP1 (0.41) TDP1POLBKMT2ATTRPTPRC
SCHEMBL12366143 0.81 TDP1 (0.39) TDP1POLBKMT2ATTRPTPRC
SCHEMBL12366277 0.80 TDP1 (0.39) TDP1POLBKMT2ATTRTBXA2R
SCHEMBL12365227 0.79 TDP1 (0.42) TDP1POLBKMT2ATTRPTPRC
SCHEMBL12366182 0.79 TDP1 (0.42) TDP1POLBKMT2ATTRPTPRC
SCHEMBL12366147 0.79 KMO (0.39) TDP1TTRPTPRC
SCHEMBL12366132 0.78 TTR (0.43) TDP1KMT2ATTRPTPRCMEN1

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 378/4885NAPRT 1780/4885POLB 4142/4885

“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.