SCHEMBL19085253

SCHEMBL19085253

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRS3 P32247 4/20 0.44
GPR139 Q6DWJ6 1/20 0.38
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
ADRB2 P07550 1/20 0.36
ADRB1 P08588 1/20 0.36
ADRB3 P13945 1/20 0.36
ADRA1D P25100 1/20 0.36
ADRA1A P35348 1/20 0.36
ADRA1B P35368 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
POLB P06746 2/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL19085177 0.83 BRS3 (0.46) BRS3CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL13477520 0.80 RORC (0.43) BRS3SMN1; SMN2POLBNPC1RAB9A
SCHEMBL20621071 0.79 BRS3 (0.45) BRS3GPR139CYP1A2CYP2D6CYP2C9
SCHEMBL19085311 0.78 BRS3 (0.45) BRS3GPR139MEN1KMT2ACYP1A2
SCHEMBL13142718 0.78 BRS3 (0.65) BRS3GPR139ADRB1ADRB3POLB
SCHEMBL20620626 0.77 BRS3 (0.44) BRS3GPR139MEN1KMT2ACYP1A2
SCHEMBL20620515 0.77 BRS3 (0.40) BRS3KMT2ACYP1A2CYP2D6CYP2C9
SCHEMBL20620988 0.75 KMT2A (0.45) BRS3MEN1KMT2ASMN1; SMN2RAB9A
SCHEMBL13477501 0.73 NPC1 (0.48) BRS3CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL20620544 0.73 BRS3 (0.40) BRS3CYP1A2CYP2D6CYP2C9CYP2C19

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 1/4885GPR139 42/4885MEN1 996/4885
US-10016410-B2 Tetrahydroisoquinolin-1-one derivative or salt thereof BRS3, BDKRB2, NTSR2 BRS3 1/4885GPR139 42/4885MEN1 996/4885

“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.