SCHEMBL2511368

SCHEMBL2511368

N#Cc1cc(Cl)cc(Oc2c(Cl)ccnc2O)c1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.45
CYP3A4 P08684 5/20 0.42
MAPT P10636 1/20 0.40
KMT2A Q03164 1/20 0.40
GRM5 P41594 6/20 0.38
SLC22A12 Q96S37 1/20 0.36
CYP2C9 P11712 2/20 0.35
CYP2C19 P33261 1/20 0.35
VEGFA P15692 1/20 0.34
EPAS1 Q99814 1/20 0.34
RORC P51449 1/20 0.34
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 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
SCHEMBL2511549 0.87 KCNH2 (0.44) KCNH2CYP3A4MAPTKMT2AGRM5
SCHEMBL3099321 0.84 KCNH2 (0.45) KCNH2CYP3A4MAPTKMT2AGRM5
SCHEMBL2512033 0.84 KCNH2 (0.47) KCNH2CYP3A4MAPTKMT2AGRM5
SCHEMBL2512723 0.83 KCNH2 (0.43) KCNH2CYP3A4MAPTKMT2ASLC22A12
SCHEMBL2512769 0.82 KCNH2 (0.42) KCNH2CYP3A4MAPTKMT2ASLC22A12
SCHEMBL2508104 0.79 MAPT (0.32) MAPTKMT2AGRM5
SCHEMBL2509224 0.78 KCNH2 (0.44) KCNH2CYP3A4MAPTKMT2AGRM5
SCHEMBL2548859 0.78 KCNH2 (0.43) KCNH2CYP3A4MAPTKMT2ASLC22A12
SCHEMBL4556285 0.76 KCNH2 (0.44) KCNH2CYP3A4MAPTKMT2ASLC22A12
SCHEMBL2515815 0.76 KCNH2 (0.44) KCNH2CYP3A4MAPTKMT2AGRM5

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2924034-B1 PHARMACEUTICAL COMPOSITION COMPRISING A NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITOR MERCK CANADA INC (CA) 2016-11-02 EP disclosed
EP-2924034-B1 PHARMACEUTICAL COMPOSITION COMPRISING A NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITOR MERCK CANADA INC (CA) 2016-11-02 EP disclosed
EP-2222661-B1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS MERCK SHARP & DOHME (US) 2016-04-20 EP disclosed
EP-2924034-A1 PHARMACEUTICAL COMPOSITION COMPRISING A NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITOR Merck Canada Inc. (CA) 2015-09-30 EP disclosed
EP-2924034-A1 PHARMACEUTICAL COMPOSITION COMPRISING A NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITOR Merck Canada Inc. (CA) 2015-09-30 EP disclosed
EP-2552902-B1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS MERCK CANADA INC (CA) 2015-03-11 EP disclosed
EP-2552902-B1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS MERCK CANADA INC (CA) 2015-03-11 EP disclosed
US-20130296382-A1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS MERCK CANADA INC. (CA) 2013-11-07 US disclosed
US-20130296382-A1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS MERCK CANADA INC. (CA) 2013-11-07 US disclosed
US-20130296382-A1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS MERCK CANADA INC. (CA) 2013-11-07 US disclosed
US-8404856-B2 Non-nucleoside reverse transcriptase inhibitors MERCK SHARP & DOHME CORP. (US) 2013-03-26 US disclosed
EP-2552902-A1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS Merck Canada Inc. (CA) 2013-02-06 EP disclosed
WO-2011120133-A1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS MERCK FROSST CANADA LTD. (CA) 2011-10-06 WO disclosed
WO-2011120133-A1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS MERCK FROSST CANADA LTD. (CA) 2011-10-06 WO disclosed
US-20110245296-A1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS MERCK CANADA INC. (CA) 2011-10-06 US disclosed
US-20110245296-A1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS MERCK CANADA INC. (CA) 2011-10-06 US disclosed
US-20110245296-A1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS MERCK CANADA INC. (CA) 2011-10-06 US disclosed
US-20100256181-A1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS MERCK SHARP & DOHME LLC 2010-10-07 US disclosed
EP-2222661-A2 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS Merck Sharp & Dohme Corp. (US) 2010-09-01 EP disclosed
WO-2009067166-A2 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS MERCK & CO., INC. (US) 2009-05-28 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 (3 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-20130296382-A1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS POLRMT, REV1, POLR2E KCNH2 3760/4885CYP3A4 190/4885MAPT 1311/4885
US-20100256181-A1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS POLB, POLR2A, RRM2B KCNH2 3650/4885CYP3A4 844/4885MAPT 2522/4885
US-20110245296-A1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS POLRMT, REV1, POLR2E KCNH2 3760/4885CYP3A4 190/4885MAPT 1311/4885

“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.