SCHEMBL2884469

SCHEMBL2884469

Nc1ccc(Cl)c(Oc2cc(Cl)cc(Br)c2)c1N

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.32
CYP3A4 P08684 1/20 0.32
TP53 P04637 1/20 0.32
MEN1 O00255 1/20 0.31
POLB P06746 1/20 0.31
MAPT P10636 1/20 0.31
KMT2A Q03164 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL4786052 0.86 MEN1 (0.36) TSHRTP53MEN1MAPTKMT2A
SCHEMBL2943368 0.79 MEN1 (0.38) TSHRCYP3A4TP53MEN1MAPT
SCHEMBL2880917 0.74 TSHR (0.32) TSHRCYP3A4TP53
SCHEMBL3035378 0.74 CYP3A4 (0.34) CYP3A4
SCHEMBL27404522 0.73 TSHR (0.35) TSHRMAPT
SCHEMBL20535327 0.73 RHEB (0.47) TSHRCYP3A4MEN1POLBMAPT
SCHEMBL2508104 0.73 MAPT (0.32) MAPTKMT2A
SCHEMBL3031283 0.73 EPAS1 (0.33) CYP3A4
SCHEMBL3033047 0.73 CYP3A4 (0.38) CYP3A4
SCHEMBL2508105 0.72 MAPT (0.33) TSHRMAPTKMT2A

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-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
US-20080275097-A1 Non-nucleoside reverse transcriptase inhibitors MERCK SHARP & DOHME LLC 2008-11-06 US disclosed
WO-2008076223-A1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS MERCK & CO., INC. (US) 2008-06-26 WO disclosed
WO-2008076225-A2 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 TSHR 2632/4885CYP3A4 359/4885TP53 2983/4885
US-20100286192-A1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS RNGTT, RRM2B, RRM2 TSHR 2632/4885CYP3A4 359/4885TP53 2983/4885

“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.