SCHEMBL19085151

SCHEMBL19085151

O=C1c2ccccc2C[C@H](c2ccc(Cl)cc2Cl)N1[C@H]1CC[C@H](O)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 4/20 0.45
MDM2 Q00987 4/20 0.45
MDM4 O15151 3/20 0.45
HTT P42858 3/20 0.41
GAA P10253 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
CASP6 P55212 2/20 0.39
TERT O14746 1/20 0.39
FFAR2 O15552 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
ALDH1A1 P00352 2/20 0.37

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
SCHEMBL13477423 0.90 CASP6 (0.41) TP53MDM2MDM4HTTGAA
SCHEMBL19085095 0.89 CASP6 (0.41) HTTGAAKDM4ELMNACYP1A2
SCHEMBL19085210 0.83 GAA (0.41) HTTGAAKDM4ELMNACYP1A2
SCHEMBL13477522 0.83 GAA (0.41) HTTGAAKDM4ELMNACYP1A2
SCHEMBL19085292 0.80 CNR1 (0.42) CASP6MEN1KMT2A
SCHEMBL13477511 0.79 GAA (0.39) HTTGAAKDM4ELMNACYP1A2
SCHEMBL13477499 0.77 BRS3 (0.44) GAATERTFFAR2TSHRAGTR1
SCHEMBL13477444 0.74 BRS3 (0.56) MEN1KMT2AALDH1A1
SCHEMBL20621070 0.73 BRS3 (0.40) HTTGAAKDM4ELMNACYP1A2
SCHEMBL18346526 0.70 HSP90AA1 (0.41) TP53HTTGAAKDM4ELMNA

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 TP53 4846/4885MDM2 4851/4885MDM4 4882/4885
US-10016410-B2 Tetrahydroisoquinolin-1-one derivative or salt thereof BRS3, BDKRB2, NTSR2 TP53 4846/4885MDM2 4851/4885MDM4 4882/4885

“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.