SCHEMBL5555878

SCHEMBL5555878

CCc1c(CO)nn(CC)c1Oc1cccc(C#N)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPAS1 Q99814 2/20 0.38
HTR2C P28335 1/20 0.35
USP7 Q93009 2/20 0.35
AR P10275 1/20 0.34
TBXAS1 P24557 1/20 0.34
FNTA P49354 1/20 0.34
FNTB P49356 1/20 0.34
PGGT1B P53609 1/20 0.34
NOTUM Q6P988 1/20 0.34
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
SCN9A Q15858 1/20 0.33
MGLL Q99685 1/20 0.33
MCHR1 Q99705 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL5561581 0.87 PGR (0.41) HRH3CYP11B2POLB
SCHEMBL5555674 0.84 EPAS1 (0.41) EPAS1USP7ARTBXAS1FNTA
SCHEMBL5560926 0.83 KCNH2 (0.47) EPAS1
SCHEMBL5555445 0.82 CYP1A2 (0.41) MGLLSMN1; SMN2
SCHEMBL5560603 0.75 KCNH2 (0.45)
SCHEMBL14471299 0.74 KCNH2 (0.43) EPAS1USP7ARPDE4APDE4B
SCHEMBL5561074 0.74 PTGDR2 (0.34) SMN1; SMN2
SCHEMBL5556289 0.74 MAPT (0.33)
SCHEMBL5561288 0.74 CYP1A2 (0.40) PDE4BMGLL
SCHEMBL5561726 0.72 KCNH2 (0.40) EPAS1

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 EPAS1 3601/4885HTR2C 4471/4885USP7 4137/4885

“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.