SCHEMBL19085210

SCHEMBL19085210

O=C1c2ccccc2C[C@H](c2ccc(Cl)cc2Cl)N1[C@H]1CCCC[C@@H]1O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.41
TSHR P16473 1/20 0.41
AGTR1 P30556 1/20 0.41
HTT P42858 3/20 0.41
KDM4E B2RXH2 2/20 0.41
LMNA P02545 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
ALOX15 P16050 1/20 0.41
ALOX12 P18054 1/20 0.41
CYP2C19 P33261 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
BRS3 P32247 4/20 0.39
CASP6 P55212 2/20 0.39
TERT O14746 1/20 0.38
FFAR2 O15552 1/20 0.38
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
SLC18A3 Q16572 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
SCHEMBL13477522 1.00 GAA (0.41) GAATSHRAGTR1HTTKDM4E
SCHEMBL13477511 0.87 GAA (0.39) GAATSHRAGTR1HTTKDM4E
SCHEMBL13477423 0.86 CASP6 (0.41) GAATSHRAGTR1HTTKDM4E
SCHEMBL19085095 0.85 CASP6 (0.41) GAATSHRAGTR1HTTKDM4E
SCHEMBL13477516 0.84 SLC18A3 (0.43) GAAKDM4ESLC18A3ALDH1A1
SCHEMBL13477499 0.84 BRS3 (0.44) GAATSHRAGTR1BRS3TERT
SCHEMBL19085151 0.83 TP53 (0.45) GAATSHRAGTR1HTTKDM4E
SCHEMBL20621070 0.82 BRS3 (0.40) GAATSHRAGTR1HTTKDM4E
SCHEMBL13477444 0.82 BRS3 (0.56) BRS3MEN1KMT2AALDH1A1
SCHEMBL17067558 0.77 BRS3 (0.49) GAATSHRAGTR1HTTKDM4E

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 GAA 4750/4885TSHR 974/4885AGTR1 72/4885
US-10016410-B2 Tetrahydroisoquinolin-1-one derivative or salt thereof BRS3, BDKRB2, NTSR2 GAA 4750/4885TSHR 974/4885AGTR1 72/4885

“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.