SCHEMBL12752175

SCHEMBL12752175

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.38
MEN1 O00255 4/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
ALDH1A1 P00352 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
MAPT P10636 2/20 0.33
PDE4A P27815 1/20 0.33
ADORA2A P29274 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
POLB P06746 1/20 0.33
TPH1 P17752 1/20 0.32
TPH2 Q8IWU9 1/20 0.32
LMNA P02545 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
TSHR P16473 1/20 0.31
NFKB1 P19838 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
SCHEMBL12752383 0.89 KMT2A (0.34) KMT2AMEN1SMN1; SMN2ALDH1A1TDP1
SCHEMBL12752168 0.83 KMT2A (0.40) KMT2AMEN1SMN1; SMN2ALDH1A1TDP1
SCHEMBL12752416 0.81 KMT2A (0.33) KMT2AMEN1SMN1; SMN2ALDH1A1TDP1
SCHEMBL12752281 0.81 MEN1 (0.33) KMT2AMEN1SMN1; SMN2ALDH1A1TDP1
SCHEMBL12752170 0.80 KMT2A (0.39) KMT2AMEN1SMN1; SMN2ALDH1A1TDP1
SCHEMBL12752174 0.80 KMT2A (0.40) KMT2AMEN1SMN1; SMN2ALDH1A1TDP1
SCHEMBL12752276 0.79 MEN1 (0.33) KMT2AMEN1SMN1; SMN2ALDH1A1TDP1
SCHEMBL12752461 0.79 KMT2A (0.33) KMT2AMEN1SMN1; SMN2ALDH1A1TDP1
SCHEMBL12752164 0.75 KMT2A (0.35) KMT2AMEN1SMN1; SMN2ALDH1A1TDP1
SCHEMBL12828761 0.75 KMT2A (0.41) KMT2AMEN1SMN1; SMN2ALDH1A1TDP1

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.