SCHEMBL12752168

SCHEMBL12752168

CCc1c(C(=O)c2cc(C)cc(C)c2)n(CC)c(=O)[nH]c1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.40
MEN1 O00255 4/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
ALDH1A1 P00352 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
MAPT P10636 3/20 0.35
POLB P06746 1/20 0.35
PDE4A P27815 1/20 0.35
ADORA2A P29274 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35
KDM4E B2RXH2 1/20 0.34
HPGD P15428 1/20 0.34
HSD17B10 Q99714 1/20 0.34
LMNA P02545 2/20 0.34
TSHR P16473 2/20 0.34
TPH1 P17752 1/20 0.34
TPH2 Q8IWU9 1/20 0.34
CYP1A2 P05177 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
SCHEMBL12752164 0.91 KMT2A (0.35) KMT2AMEN1SMN1; SMN2ALDH1A1TDP1
SCHEMBL6087754 0.89 KMT2A (0.39) KMT2AMEN1SMN1; SMN2ALDH1A1TDP1
SCHEMBL12752170 0.89 KMT2A (0.39) KMT2AMEN1SMN1; SMN2ALDH1A1TDP1
SCHEMBL6089500 0.88 TPH1 (0.38) KMT2AMEN1SMN1; SMN2ALDH1A1TDP1
SCHEMBL12752379 0.88 KMT2A (0.35) KMT2AMEN1SMN1; SMN2ALDH1A1TDP1
SCHEMBL7753931 0.86 KMT2A (0.37) KMT2AMEN1SMN1; SMN2ALDH1A1TDP1
SCHEMBL7031964 0.86 KMT2A (0.39) KMT2AMEN1SMN1; SMN2ALDH1A1TDP1
SCHEMBL7758821 0.86 KMT2A (0.37) KMT2AMEN1SMN1; SMN2ALDH1A1TDP1
SCHEMBL6087554 0.86 ALDH1A1 (0.40) KMT2AMEN1SMN1; SMN2ALDH1A1TDP1
SCHEMBL12752374 0.85 MEN1 (0.38) KMT2AMEN1SMN1; SMN2ALDH1A1MAPT

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 4798/4885SMN1; SMN2 2685/4885
US-20130078256-A1 NOVEL HIV REVERSE TRANSCRIPTASE INHIBITORS POLR2E, POLR1E, POLR2H KMT2A 1544/4885MEN1 4798/4885SMN1; SMN2 2685/4885

“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.