SCHEMBL13477487

SCHEMBL13477487

CC(ONC(=O)[C@@H]1c2ccccc2C(=O)N[C@H]1c1ccc(Cl)cc1Cl)c1ccccn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNKS2 Q9H2K2 1/20 0.41
BRS3 P32247 9/20 0.40
ALDH1A1 P00352 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
CACNA1B Q00975 1/20 0.34
GAA P10253 2/20 0.34
KDM4E B2RXH2 1/20 0.34
LMNA P02545 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
ALOX15 P16050 1/20 0.34
ALOX12 P18054 1/20 0.34
CYP2C19 P33261 1/20 0.34
HTT P42858 1/20 0.34
P2RX7 Q99572 1/20 0.34
SLC6A4 P31645 1/20 0.33
TSHR P16473 1/20 0.33
TP53 P04637 1/20 0.32
MDM2 Q00987 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
SCHEMBL13477452 0.77 BRS3 (0.44) TNKS2BRS3ALDH1A1SMN1; SMN2GAA
SCHEMBL19085137 0.76 BRS3 (0.45) TNKS2BRS3ALDH1A1SMN1; SMN2GAA
SCHEMBL19085228 0.76 BRS3 (0.47) TNKS2BRS3ALDH1A1SMN1; SMN2KDM4E
SCHEMBL20620494 0.76 BRS3 (0.40) TNKS2BRS3ALDH1A1SMN1; SMN2GAA
SCHEMBL20620515 0.75 BRS3 (0.40) TNKS2BRS3ALDH1A1SMN1; SMN2CACNA1B
SCHEMBL13477501 0.75 NPC1 (0.48) BRS3ALDH1A1SMN1; SMN2GAAKDM4E
SCHEMBL13477541 0.75 BRS3 (0.46) TNKS2BRS3ALDH1A1SMN1; SMN2GAA
SCHEMBL19085173 0.75 BRS3 (0.44) TNKS2BRS3ALDH1A1SMN1; SMN2GAA
SCHEMBL20621018 0.75 HTT (0.45) TNKS2ALDH1A1SMN1; SMN2CACNA1BGAA
SCHEMBL19085328 0.75 BRS3 (0.42) TNKS2BRS3ALDH1A1SMN1; SMN2GAA

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-20190000832-A1 TETRAHYDROISOQUINOLIN-1-ONE DERIVATIVE OR SALT THEREOF Selder Pharma Inc. (US) 2019-01-03 US disclosed
EP-2149561-A1 TETRAHYDROISOQUINOLIN-1-ONE DERIVATIVE OR SALT THEREOF Astellas Pharma Inc. (JP) 2010-02-03 EP 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-20190000832-A1 TETRAHYDROISOQUINOLIN-1-ONE DERIVATIVE OR SALT THEREOF BRS3, BDKRB2, NTSR2 TNKS2 1217/4885BRS3 1/4885ALDH1A1 4647/4885

“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.