SCHEMBL20620544

SCHEMBL20620544

N#CCNC(=O)[C@@H]1c2ccccc2C(=O)N[C@H]1c1ccc(Cl)cc1Cl

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRS3 P32247 4/20 0.40
P2RX7 Q99572 2/20 0.40
CTSK P43235 6/20 0.39
HTT P42858 3/20 0.39
KDM4E B2RXH2 2/20 0.39
LMNA P02545 1/20 0.39
CYP1A2 P05177 1/20 0.39
GAA P10253 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
ALOX15 P16050 1/20 0.39
ALOX12 P18054 1/20 0.39
CYP2C19 P33261 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TNKS2 Q9H2K2 1/20 0.38
CTSL P07711 3/20 0.37
ALDH1A1 P00352 2/20 0.37
MAPT P10636 2/20 0.37
NPSR1 Q6W5P4 2/20 0.37
THRB P10828 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
SCHEMBL20620515 0.84 BRS3 (0.40) BRS3P2RX7HTTKDM4ELMNA
SCHEMBL13477442 0.83 BRS3 (0.58) BRS3HTTKDM4ELMNAALOX12
SCHEMBL13477452 0.82 BRS3 (0.44) BRS3P2RX7HTTKDM4ELMNA
SCHEMBL20621018 0.81 HTT (0.45) P2RX7HTTKDM4ELMNACYP1A2
SCHEMBL19085207 0.81 BRS3 (0.52) BRS3HTTKDM4ELMNASMN1; SMN2
SCHEMBL19085348 0.81 MDM2 (0.43) BRS3P2RX7HTTKDM4EALDH1A1
SCHEMBL20620988 0.80 KMT2A (0.45) BRS3KDM4ESMN1; SMN2ALDH1A1MAPT
SCHEMBL20621071 0.80 BRS3 (0.45) BRS3P2RX7HTTKDM4ELMNA
SCHEMBL20620985 0.80 GALK1 (0.40) BRS3P2RX7SMN1; SMN2ALDH1A1MAPT
SCHEMBL20620494 0.78 BRS3 (0.40) BRS3P2RX7HTTKDM4ELMNA

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 BRS3 1/4885P2RX7 815/4885CTSK 4268/4885

“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.