SCHEMBL19085325

SCHEMBL19085325

CC(NC(=O)[C@@H]1c2ccccc2C(=O)N[C@H]1c1ccc(Cl)cc1Cl)c1cccc(OCC(=O)OC(C)(C)C)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRS3 P32247 3/20 0.40
CNR1 P21554 1/20 0.35
HTRA1 Q92743 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
ITGB1 P05556 1/20 0.33
ITGA4 P13612 1/20 0.33
PTPN1 P18031 1/20 0.33
POLB P06746 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
GPR139 Q6DWJ6 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP3A4 P08684 1/20 0.32
MAPT P10636 1/20 0.32
CYP2C9 P11712 1/20 0.32
HPGD P15428 1/20 0.32
CYP2C19 P33261 1/20 0.32
NPSR1 Q6W5P4 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
SCHEMBL19085253 0.90 BRS3 (0.44) BRS3MEN1KMT2ASMN1; SMN2POLB
SCHEMBL13142713 0.79 BRS3 (0.60) BRS3CNR1HTRA1ITGB1ITGA4
SCHEMBL13142715 0.77 BRS3 (0.75) BRS3CNR1ITGB1ITGA4POLB
SCHEMBL20621071 0.76 BRS3 (0.45) BRS3SMN1; SMN2GPR139KDM4EALDH1A1
SCHEMBL19085311 0.75 BRS3 (0.45) BRS3MEN1KMT2ASMN1; SMN2POLB
SCHEMBL20620626 0.74 BRS3 (0.44) BRS3MEN1KMT2ASMN1; SMN2GPR139
SCHEMBL20620515 0.74 BRS3 (0.40) BRS3KMT2ASMN1; SMN2KDM4EALDH1A1
SCHEMBL19085177 0.73 BRS3 (0.46) BRS3SMN1; SMN2L3MBTL1KDM4EALDH1A1
SCHEMBL20621075 0.71 BRS3 (0.46) BRS3MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL20620988 0.70 KMT2A (0.45) BRS3MEN1KMT2ASMN1; SMN2KDM4E

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 1/4885CNR1 135/4885HTRA1 1354/4885
US-10016410-B2 Tetrahydroisoquinolin-1-one derivative or salt thereof BRS3, BDKRB2, NTSR2 BRS3 1/4885CNR1 135/4885HTRA1 1354/4885

“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.