SCHEMBL20620985

SCHEMBL20620985

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

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GALK1 P51570 1/20 0.40
BRS3 P32247 4/20 0.40
P2RX7 Q99572 2/20 0.40
MAPT P10636 3/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ALDH1A1 P00352 2/20 0.39
ROCK2 O75116 2/20 0.39
ROCK1 Q13464 2/20 0.39
MRGPRX4 Q96LA9 2/20 0.38
THRB P10828 1/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
HIF1A Q16665 1/20 0.37
ATM Q13315 1/20 0.37
LOXL2 Q9Y4K0 1/20 0.37
TP53 P04637 1/20 0.37
SMN1; SMN2 Q16637 1/20 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
SCHEMBL13477455 0.91 BRS3 (0.48) BRS3MAPTMRGPRX4THRBNPC1
SCHEMBL19085348 0.84 MDM2 (0.43) BRS3P2RX7MAPTALDH1A1TP53
SCHEMBL20621075 0.83 BRS3 (0.46) BRS3P2RX7MEN1KMT2AALDH1A1
SCHEMBL19085177 0.83 BRS3 (0.46) BRS3P2RX7MAPTALDH1A1NPC1
SCHEMBL13477442 0.81 BRS3 (0.58) BRS3MAPTMEN1KMT2AALDH1A1
SCHEMBL13477520 0.80 RORC (0.43) BRS3P2RX7ALDH1A1NPC1RAB9A
SCHEMBL13477452 0.80 BRS3 (0.44) BRS3P2RX7KMT2AALDH1A1NPC1
SCHEMBL20620544 0.80 BRS3 (0.40) BRS3P2RX7MAPTALDH1A1THRB
SCHEMBL20620611 0.79 BRS3 (0.39) BRS3P2RX7MAPTMEN1KMT2A
SCHEMBL19085207 0.79 BRS3 (0.52) BRS3MAPTMEN1KMT2AALDH1A1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190000832-A1 TETRAHYDROISOQUINOLIN-1-ONE DERIVATIVE OR SALT THEREOF Selder Pharma Inc. (US) 2019-01-03 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 (1 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-20190000832-A1 TETRAHYDROISOQUINOLIN-1-ONE DERIVATIVE OR SALT THEREOF BRS3, BDKRB2, NTSR2 GALK1 3899/4885BRS3 1/4885P2RX7 815/4885

“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.