SCHEMBL5562301

SCHEMBL5562301

CCc1c(CC(=O)Nc2ccccc2)nn(CC)c1Oc1cc(Cl)cc(Cl)c1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
S1PR2 O95136 2/20 0.42
AURKA O14965 1/20 0.42
RPS6KB1 P23443 1/20 0.42
PTGDR2 Q9Y5Y4 5/20 0.39
AKR1B1 P15121 3/20 0.39
FAAH O00519 1/20 0.38
GAA P10253 1/20 0.38
MAPK13 O15264 1/20 0.38
MAPK12 P53778 1/20 0.38
MAPK11 Q15759 1/20 0.38
MAPK14 Q16539 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 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
SCHEMBL14471426 0.93 S1PR2 (0.39) S1PR2AURKARPS6KB1PTGDR2AKR1B1
SCHEMBL5561125 0.86 MEN1 (0.37) FAAHGAAMAPK13MAPK12MAPK11
SCHEMBL14454018 0.84 PTGDR2 (0.47) PTGDR2MAPT
SCHEMBL5556140 0.82 MAPT (0.38) PTGDR2GAAMEN1KMT2ATDP1
SCHEMBL14454030 0.81 PTGDR2 (0.36) S1PR2PTGDR2MEN1KMT2AALDH1A1
SCHEMBL14471411 0.78 KMT2A (0.41) FAAHGAAMEN1KMT2ATDP1
SCHEMBL5561781 0.78 PTGDR2 (0.38) PTGDR2MAPT
SCHEMBL5561074 0.77 PTGDR2 (0.34) PTGDR2MEN1KMT2AALDH1A1MAPT
SCHEMBL14471424 0.76 PTGDR2 (0.46) PTGDR2MAPT
SCHEMBL14454026 0.76 L3MBTL1 (0.37) PTGDR2GAAMEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1597235-B1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS HOFFMANN LA ROCHE (CH) 2007-08-15 EP disclosed
US-7241794-B2 Nonnucleoside reverse transcriptase inhibitors ROCHEPALO ALTO LLC (US) 2007-07-10 US disclosed
US-7241794-B2 Nonnucleoside reverse transcriptase inhibitors ROCHEPALO ALTO LLC (US) 2007-07-10 US disclosed
US-7241794-B2 Nonnucleoside reverse transcriptase inhibitors ROCHEPALO ALTO LLC (US) 2007-07-10 US disclosed
EP-1597235-A1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2005-11-23 EP disclosed
US-20040192666-A1 Nonnucleoside reverse transcriptase inhibitors ROCHE PALO ALTO LLC 2004-09-30 US disclosed
WO-2004074257-A1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2004-09-02 WO 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-20040192666-A1 Nonnucleoside reverse transcriptase inhibitors POLRMT, RRM2B, RRM2 S1PR2 2522/4885AURKA 3205/4885RPS6KB1 934/4885

“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.