SCHEMBL12752170

SCHEMBL12752170

CCn1c(C(=O)c2cc(C)cc(C)c2)c(CC(F)(F)F)c(=O)[nH]c1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.39
MEN1 O00255 4/20 0.39
TDP1 Q9NUW8 1/20 0.39
ALDH1A1 P00352 4/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
BRD4 O60885 2/20 0.32
BRD2 P25440 1/20 0.32
BRD3 Q15059 1/20 0.32
BRDT Q58F21 1/20 0.32
KDM4E B2RXH2 2/20 0.32
TPH1 P17752 1/20 0.32
TPH2 Q8IWU9 1/20 0.32
PDE4A P27815 1/20 0.32
ADORA2A P29274 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4C Q08493 1/20 0.32
PDE4D Q08499 1/20 0.32
MAPT P10636 2/20 0.31
POLB P06746 1/20 0.31
MAPK1 P28482 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
SCHEMBL13956313 0.91 KMT2A (0.36) KMT2AMEN1TDP1ALDH1A1SMN1; SMN2
SCHEMBL12752168 0.89 KMT2A (0.40) KMT2AMEN1TDP1ALDH1A1SMN1; SMN2
SCHEMBL12752164 0.81 KMT2A (0.35) KMT2AMEN1TDP1ALDH1A1SMN1; SMN2
SCHEMBL12752175 0.80 KMT2A (0.38) KMT2AMEN1TDP1ALDH1A1SMN1; SMN2
SCHEMBL6087754 0.79 KMT2A (0.39) KMT2AMEN1TDP1ALDH1A1SMN1; SMN2
SCHEMBL12752379 0.78 KMT2A (0.35) KMT2AMEN1TDP1ALDH1A1SMN1; SMN2
SCHEMBL12752174 0.78 KMT2A (0.40) KMT2AMEN1TDP1ALDH1A1SMN1; SMN2
SCHEMBL6089500 0.78 TPH1 (0.38) KMT2AMEN1TDP1ALDH1A1SMN1; SMN2
SCHEMBL6086524 0.78 HDAC1 (0.39) KMT2AMEN1TDP1ALDH1A1SMN1; SMN2
SCHEMBL7031964 0.76 KMT2A (0.39) KMT2AMEN1TDP1ALDH1A1SMN1; SMN2

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.