SCHEMBL19085243

SCHEMBL19085243

CNC(=O)c1cccc(CONC(=O)[C@@H]2c3ccccc3C(=O)N[C@H]2c2ccc(Cl)cc2Cl)c1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BRS3 P32247 9/20 0.49
NPC1 O15118 6/20 0.40
RAB9A P51151 6/20 0.40
MRGPRX4 Q96LA9 2/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
SMN1; SMN2 Q16637 5/20 0.37
ALDH1A1 P00352 3/20 0.37
TP53 P04637 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
THRB P10828 1/20 0.36
POLB P06746 1/20 0.35
ALOX12 P18054 1/20 0.35
HTT P42858 1/20 0.35

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
SCHEMBL19085337 0.91 BRS3 (0.49) BRS3NPC1RAB9AMRGPRX4HDAC8
SCHEMBL13477501 0.89 NPC1 (0.48) BRS3NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL19085191 0.85 BRS3 (0.47) BRS3NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL20621045 0.84 BRS3 (0.44) BRS3NPC1RAB9AHDAC8SMN1; SMN2
SCHEMBL20620524 0.84 BRS3 (0.44) BRS3NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL19085342 0.83 BRS3 (0.56) BRS3NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL13477458 0.82 BRS3 (0.43) BRS3NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL20620617 0.81 BRS3 (0.44) BRS3NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL20620620 0.81 BRS3 (0.48) BRS3NPC1RAB9AMRGPRX4SMN1; SMN2
SCHEMBL13477546 0.81 BRS3 (0.41) BRS3NPC1RAB9AHDAC8HDAC6

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 1/4885NPC1 2242/4885RAB9A 404/4885
US-10016410-B2 Tetrahydroisoquinolin-1-one derivative or salt thereof BRS3, BDKRB2, NTSR2 BRS3 1/4885NPC1 2242/4885RAB9A 404/4885

“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.