SCHEMBL19085311

SCHEMBL19085311

C=C(N)c1ccc(C(C)NC(=O)[C@@H]2c3ccccc3C(=O)N[C@H]2c2ccc(Cl)cc2Cl)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRS3 P32247 2/20 0.45
HDAC8 Q9BY41 2/20 0.35
PTGER4 P35408 2/20 0.35
GAA P10253 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
HPGD P15428 1/20 0.34
GPR139 Q6DWJ6 3/20 0.34
HTT P42858 2/20 0.34
CYP1A2 P05177 2/20 0.34
CYP2C9 P11712 2/20 0.34
CYP2C19 P33261 2/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
THRB P10828 2/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
KDM4E B2RXH2 1/20 0.34
LMNA P02545 1/20 0.34
CYP2D6 P10635 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
SCHEMBL20620626 0.90 BRS3 (0.44) BRS3HDAC8PTGER4GAASMN1; SMN2
SCHEMBL20621071 0.85 BRS3 (0.45) BRS3HDAC8PTGER4GAASMN1; SMN2
SCHEMBL20620515 0.79 BRS3 (0.40) BRS3GAASMN1; SMN2HPGDHTT
SCHEMBL19085253 0.78 BRS3 (0.44) BRS3HDAC8SMN1; SMN2HPGDGPR139
SCHEMBL19085325 0.75 BRS3 (0.40) BRS3SMN1; SMN2HPGDGPR139CYP2C9
SCHEMBL20621018 0.75 HTT (0.45) GAASMN1; SMN2HPGDHTTCYP1A2
SCHEMBL20620544 0.73 BRS3 (0.40) BRS3GAASMN1; SMN2HPGDHTT
SCHEMBL13477487 0.72 TNKS2 (0.41) BRS3GAASMN1; SMN2HTTCYP1A2
SCHEMBL19085348 0.72 MDM2 (0.43) BRS3PTGER4HPGDHTTALDH1A1
SCHEMBL20620988 0.72 KMT2A (0.45) BRS3SMN1; SMN2MEN1KMT2AALDH1A1

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 1/4885HDAC8 2310/4885PTGER4 1144/4885
US-10016410-B2 Tetrahydroisoquinolin-1-one derivative or salt thereof BRS3, BDKRB2, NTSR2 BRS3 1/4885HDAC8 2310/4885PTGER4 1144/4885

“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.