SCHEMBL19085207

SCHEMBL19085207

O=C1N[C@@H](c2ccc(Cl)cc2Cl)[C@H](C(=O)NCCCc2ccccc2)c2ccccc21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRS3 P32247 4/20 0.52
ALDH1A1 P00352 3/20 0.43
LMNA P02545 3/20 0.43
HTT P42858 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
TP53 P04637 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.42
PLAAT3 P53816 2/20 0.41
PLAAT5 Q96KN8 2/20 0.41
PLAAT2 Q9NWW9 2/20 0.41
PLAAT4 Q9UL19 2/20 0.41
CNR1 P21554 2/20 0.41
MAPT P10636 2/20 0.41
KDM4E B2RXH2 1/20 0.41
HPGD P15428 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
CNR2 P34972 1/20 0.40

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
SCHEMBL13477442 0.94 BRS3 (0.58) BRS3ALDH1A1LMNAHTTMEN1
SCHEMBL13477455 0.83 BRS3 (0.48) BRS3TP53MAPT
SCHEMBL19085348 0.82 MDM2 (0.43) BRS3ALDH1A1HTTTP53CNR1
SCHEMBL13477501 0.82 NPC1 (0.48) BRS3ALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL20620544 0.81 BRS3 (0.40) BRS3ALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL20621075 0.80 BRS3 (0.46) BRS3ALDH1A1MEN1KMT2ATP53
SCHEMBL20620617 0.80 BRS3 (0.44) BRS3ALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL20620984 0.80 BRS3 (0.43) BRS3ALDH1A1LMNAHTTKMT2A
SCHEMBL13477452 0.80 BRS3 (0.44) BRS3ALDH1A1LMNAHTTKMT2A
SCHEMBL19085177 0.79 BRS3 (0.46) BRS3ALDH1A1HTTSMN1; SMN2L3MBTL1

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 1/4885ALDH1A1 4647/4885LMNA 4629/4885
US-10016410-B2 Tetrahydroisoquinolin-1-one derivative or salt thereof BRS3, BDKRB2, NTSR2 BRS3 1/4885ALDH1A1 4647/4885LMNA 4629/4885

“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.