SCHEMBL2511549

SCHEMBL2511549

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

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.44
KMT2A Q03164 2/20 0.39
MAPT P10636 1/20 0.39
CYP3A4 P08684 4/20 0.37
MEN1 O00255 1/20 0.35
TTR P02766 1/20 0.35
ALB P02768 1/20 0.35
SLC22A12 Q96S37 1/20 0.35
GRM5 P41594 4/20 0.34
EPAS1 Q99814 3/20 0.33
VEGFA P15692 2/20 0.33
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32

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
SCHEMBL2511368 0.87 KCNH2 (0.45) KCNH2KMT2AMAPTCYP3A4SLC22A12
SCHEMBL2515815 0.82 KCNH2 (0.44) KCNH2KMT2AMAPTCYP3A4MEN1
SCHEMBL2512033 0.81 KCNH2 (0.47) KCNH2KMT2AMAPTCYP3A4SLC22A12
SCHEMBL2512723 0.81 KCNH2 (0.43) KCNH2KMT2AMAPTCYP3A4SLC22A12
SCHEMBL2513710 0.80 MAPT (0.31) KMT2AMAPT
SCHEMBL2512769 0.80 KCNH2 (0.42) KCNH2KMT2AMAPTCYP3A4SLC22A12
SCHEMBL2509884 0.77 KCNH2 (0.40) KCNH2KMT2ACYP3A4MEN1TTR
SCHEMBL2509224 0.76 KCNH2 (0.44) KCNH2KMT2AMAPTCYP3A4SLC22A12
SCHEMBL1344317 0.76 KCNH2 (0.47) KCNH2CYP3A4SLC22A12EPAS1VEGFA
SCHEMBL2548859 0.76 KCNH2 (0.43) KCNH2KMT2AMAPTCYP3A4SLC22A12

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 18 patents. 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-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-8486975-B2 Non-nucleoside reverse transcriptase inhibitors MERCK CANADA INC. (CA) 2013-07-16 US disclosed
US-8486975-B2 Non-nucleoside reverse transcriptase inhibitors MERCK CANADA INC. (CA) 2013-07-16 US disclosed
US-8486975-B2 Non-nucleoside reverse transcriptase inhibitors MERCK CANADA INC. (CA) 2013-07-16 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

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-20130296382-A1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS POLRMT, REV1, POLR2E KCNH2 3760/4885KMT2A 1259/4885MAPT 1311/4885
US-20110245296-A1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS POLRMT, REV1, POLR2E KCNH2 3760/4885KMT2A 1259/4885MAPT 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.