SCHEMBL12752249

SCHEMBL12752249

Cc1cc(C)cc(C(=O)c2c(C(C)C)c(=O)[nH]c(=O)n2CCC(N)=O)c1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
PARP1 P09874 3/20 0.33
TLR9 Q9NR96 1/20 0.33
TLR8 Q9NR97 1/20 0.33
TLR7 Q9NYK1 1/20 0.33
PDE4A P27815 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4C Q08493 1/20 0.32
PDE4D Q08499 1/20 0.32
TP53 P04637 1/20 0.31
MAPT P10636 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
SCHEMBL12752206 0.94 KMT2A (0.39) KMT2AMEN1TDP1TP53MAPT
SCHEMBL12752414 0.90 KMT2A (0.35) KMT2AMEN1TDP1PARP1
SCHEMBL12752262 0.90 KMT2A (0.35) KMT2AMEN1TDP1PARP1
SCHEMBL12752204 0.88 KMT2A (0.39) KMT2AMEN1TDP1TP53MAPT
SCHEMBL12752183 0.88 KMT2A (0.47) KMT2AMEN1TDP1PDE4APDE4B
SCHEMBL12752242 0.88 KMT2A (0.37) KMT2AMEN1TDP1PARP1TP53
SCHEMBL12752190 0.87 KMT2A (0.39) KMT2AMEN1TDP1TP53MAPT
SCHEMBL12752179 0.86 KMT2A (0.41) KMT2AMEN1TDP1PDE4APDE4B
SCHEMBL12752192 0.86 KMT2A (0.42) KMT2AMEN1TDP1MAPT
SCHEMBL12752193 0.85 KMT2A (0.38) KMT2AMEN1TDP1TP53MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130078256-A1 NOVEL HIV REVERSE TRANSCRIPTASE INHIBITORS KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2013-03-28 US disclosed
US-8334295-B2 Pyrimidine derivatives as HIV reverse transcriptase inhibitors KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2012-12-18 US disclosed
US-20110076276-A1 Novel HIV reverse transcriptase inhibitors GILEAD SCIENCES, INC. (US) 2011-03-31 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-20110076276-A1 Novel HIV reverse transcriptase inhibitors POLR2E, POLR1E, POLR2H KMT2A 1544/4885MEN1 4798/4885TDP1 160/4885
US-20130078256-A1 NOVEL HIV REVERSE TRANSCRIPTASE INHIBITORS POLR2E, POLR1E, POLR2H KMT2A 1544/4885MEN1 4798/4885TDP1 160/4885

“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.