SCHEMBL20620973

SCHEMBL20620973

COc1ccc(CONC(=O)[C@@H]2c3ccccc3C(=O)N[C@H]2c2ccc(Cl)cc2Cl)cn1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BRS3 P32247 9/20 0.43
RECQL P46063 1/20 0.37
P2RX7 Q99572 2/20 0.36
TNKS2 Q9H2K2 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
SCN9A Q15858 1/20 0.35
MEN1 O00255 1/20 0.34
USP2 O75604 1/20 0.34
PABPC1 P11940 1/20 0.34
KMT2A Q03164 1/20 0.34
TP53 P04637 1/20 0.34
MDM2 Q00987 1/20 0.34
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PTGES O14684 1/20 0.34

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
SCHEMBL19085191 0.85 BRS3 (0.47) BRS3P2RX7NPC1RAB9ASMN1; SMN2
SCHEMBL13477501 0.85 NPC1 (0.48) BRS3NPC1RAB9ASMN1; SMN2
SCHEMBL20620514 0.85 BRS3 (0.44) BRS3P2RX7TNKS2NPC1RAB9A
SCHEMBL19085342 0.83 BRS3 (0.56) BRS3NPC1RAB9AMDM2SMN1; SMN2
SCHEMBL20621045 0.83 BRS3 (0.44) BRS3P2RX7NPC1RAB9ASMN1; SMN2
SCHEMBL19085228 0.83 BRS3 (0.47) BRS3P2RX7TNKS2SMN1; SMN2
SCHEMBL13477541 0.82 BRS3 (0.46) BRS3P2RX7TNKS2NPC1RAB9A
SCHEMBL19085173 0.82 BRS3 (0.44) BRS3P2RX7TNKS2NPC1RAB9A
SCHEMBL20620617 0.82 BRS3 (0.44) BRS3P2RX7NPC1RAB9ASMN1; SMN2
SCHEMBL20620524 0.81 BRS3 (0.44) BRS3NPC1RAB9ASMN1; SMN2

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 1 patent. 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

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 BRS3 1/4885RECQL 1518/4885P2RX7 815/4885

“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.