SCHEMBL19085353

SCHEMBL19085353

Cc1ccc([C@H]2Cc3ccccc3C(=O)N2C2CCCCC2)c(C)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
GFER P55789 1/20 0.40
HTR2A P28223 3/20 0.40
HTR2C P28335 3/20 0.40
HTR2B P41595 3/20 0.40
ALDH1A1 P00352 5/20 0.39
TSHR P16473 2/20 0.39
LMNA P02545 1/20 0.38
GRM7 Q14831 2/20 0.38
GAA P10253 2/20 0.38
CASP6 P55212 1/20 0.38
KDM4E B2RXH2 3/20 0.37
NPSR1 Q6W5P4 1/20 0.37
MCOLN3 Q8TDD5 1/20 0.36
NPC1 O15118 1/20 0.36
PKM P14618 1/20 0.36
RAB9A P51151 1/20 0.36
THRB P10828 1/20 0.35
HPGD P15428 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
SCHEMBL19085095 0.79 CASP6 (0.41) MEN1KMT2AHTR2AHTR2CHTR2B
SCHEMBL13477423 0.78 CASP6 (0.41) MEN1KMT2AHTR2AHTR2CHTR2B
SCHEMBL7238441 0.72 HTR2C (0.46) HTR2AHTR2CHTR2BALDH1A1TSHR
SCHEMBL19085151 0.68 TP53 (0.45) MEN1KMT2AHTR2AHTR2CHTR2B
SCHEMBL9687473 0.68 KMT2A (0.40) KMT2AALDH1A1GAAKDM4EMCOLN3
SCHEMBL19085276 0.66 TSHR (0.51) KMT2AALDH1A1TSHRLMNAKDM4E
SCHEMBL13477511 0.65 GAA (0.39) MEN1KMT2AALDH1A1TSHRLMNA
SCHEMBL13477522 0.65 GAA (0.41) MEN1KMT2AALDH1A1TSHRLMNA
SCHEMBL19085210 0.65 GAA (0.41) MEN1KMT2AALDH1A1TSHRLMNA
SCHEMBL10747176 0.65 KMT2A (0.38) KMT2AALDH1A1

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 MEN1 996/4885KMT2A 1990/4885GFER 4309/4885
US-10016410-B2 Tetrahydroisoquinolin-1-one derivative or salt thereof BRS3, BDKRB2, NTSR2 MEN1 996/4885KMT2A 1990/4885GFER 4309/4885

“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.