SCHEMBL19085137

SCHEMBL19085137

Cn1ccnc1CONC(=O)[C@@H]1c2ccccc2C(=O)N[C@H]1c1ccc(Cl)cc1Cl

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRS3 P32247 9/20 0.45
TNKS2 Q9H2K2 1/20 0.41
P2RX7 Q99572 2/20 0.36
SMN1; SMN2 Q16637 3/20 0.35
ALDH1A1 P00352 2/20 0.35
FFAR1 O14842 3/20 0.35
KDM4E B2RXH2 2/20 0.34
GAA P10253 2/20 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
KDM5A P29375 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HPGD P15428 1/20 0.33
CASP1 P29466 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
SCHEMBL20620972 0.83 BRS3 (0.42) BRS3TNKS2
SCHEMBL13477501 0.82 NPC1 (0.48) BRS3SMN1; SMN2ALDH1A1KDM4EGAA
SCHEMBL19085228 0.82 BRS3 (0.47) BRS3TNKS2P2RX7SMN1; SMN2ALDH1A1
SCHEMBL13477541 0.81 BRS3 (0.46) BRS3TNKS2P2RX7SMN1; SMN2ALDH1A1
SCHEMBL19085173 0.81 BRS3 (0.44) BRS3TNKS2P2RX7SMN1; SMN2ALDH1A1
SCHEMBL19085328 0.81 BRS3 (0.42) BRS3TNKS2P2RX7SMN1; SMN2ALDH1A1
SCHEMBL19085191 0.81 BRS3 (0.47) BRS3P2RX7SMN1; SMN2ALDH1A1KDM4E
SCHEMBL19085244 0.80 BRS3 (0.44) BRS3TNKS2P2RX7SMN1; SMN2ALDH1A1
SCHEMBL20620580 0.80 BRS3 (0.44) BRS3TNKS2P2RX7SMN1; SMN2KDM4E
SCHEMBL20620588 0.80 BRS3 (0.41) BRS3TNKS2P2RX7SMN1; SMN2ALDH1A1

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-10016410-B2 Tetrahydroisoquinolin-1-one derivative or salt thereof SELDAR PHARMA INC. (US) 2018-07-10 US disclosed
US-20170189390-A1 TETRAHYDROISOQUINOLIN-1-ONE DERIVATIVE OR SALT THEREOF SELDAR PHARMA INC. (US) 2017-07-06 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 (2 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-20170189390-A1 TETRAHYDROISOQUINOLIN-1-ONE DERIVATIVE OR SALT THEREOF BRS3, BDKRB2, NTSR2 BRS3 1/4885TNKS2 1217/4885P2RX7 815/4885
US-10016410-B2 Tetrahydroisoquinolin-1-one derivative or salt thereof BRS3, BDKRB2, NTSR2 BRS3 1/4885TNKS2 1217/4885P2RX7 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.