SCHEMBL2884467

SCHEMBL2884467

O=Cc1c(F)ccc(Cl)c1Oc1cc(Cl)cc(Br)c1.O=Cc1ccccc1F

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EPAS1 Q99814 5/20 0.35
ERN1 O75460 1/20 0.32
GPR183 P32249 1/20 0.31
TLR8 Q9NR97 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
ACLY P53396 1/20 0.30
NFE2L2 Q16236 2/20 0.30

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
SCHEMBL2884075 0.91 EPAS1 (0.40) EPAS1TLR8
SCHEMBL3031283 0.67 EPAS1 (0.33) EPAS1
SCHEMBL13481896 0.67 CYP3A4 (0.42) EPAS1
SCHEMBL19642434 0.66 ALDH1A1 (0.40) ERN1NPSR1
SCHEMBL29548072 0.66 ALDH1A1 (0.40) ERN1NPSR1
SCHEMBL14662109 0.66 ERN1 (0.49) EPAS1ERN1
SCHEMBL3639612 0.65 EPAS1 (0.31) EPAS1
SCHEMBL3023318 0.65 CYP3A4 (0.38) EPAS1
SCHEMBL14662307 0.65 SOS1 (0.44) ERN1
SCHEMBL14662079 0.65 KMO (0.42) ERN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2121638-B1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS MERCK SHARP & DOHME (US) 2016-05-25 EP disclosed
US-20100286192-A1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS ANTHONY NEVILLE J 2010-11-11 US disclosed
US-7781454-B2 Non-nucleoside reverse transcriptase inhibitors MERCK SHARP & DOHME CORP. (US) 2010-08-24 US disclosed
EP-2121638-A2 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS Merck & Co., Inc. (US) 2009-11-25 EP disclosed
CN-101558050-A Non-nucleoside reverse transcriptase inhibitors MERCK & CO INC (US) 2009-10-14 CN disclosed
US-20080275097-A1 Non-nucleoside reverse transcriptase inhibitors MERCK SHARP & DOHME LLC 2008-11-06 US disclosed
WO-2008076225-A2 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS MERCK & CO., INC. (US) 2008-06-26 WO disclosed
WO-2008076223-A1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS MERCK & CO., INC. (US) 2008-06-26 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 (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-20080275097-A1 Non-nucleoside reverse transcriptase inhibitors RNGTT, RRM2B, RRM2 EPAS1 4394/4885ERN1 249/4885GPR183 3029/4885
US-20100286192-A1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS RNGTT, RRM2B, RRM2 EPAS1 4394/4885ERN1 249/4885GPR183 3029/4885

“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.