SCHEMBL10264196

SCHEMBL10264196

CC(=O)Nc1cc(C)cc[n+]1O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.46
TDP1 Q9NUW8 1/20 0.42
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
DYRK1A Q13627 2/20 0.37
ADORA3 P0DMS8 1/20 0.37
ALDH1A1 P00352 2/20 0.36
HPGD P15428 2/20 0.36
PKM P14618 2/20 0.35
GAA P10253 1/20 0.35
ALOX15 P16050 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
NAPRT Q6XQN6 1/20 0.35
THRB P10828 1/20 0.35
MAOA P21397 1/20 0.35
MAPT P10636 2/20 0.34
LMNA P02545 1/20 0.34
CA12 O43570 1/20 0.34

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
SCHEMBL501371 0.81 HSD17B10 (0.46) HSD17B10TDP1KMT2AMEN1DYRK1A
SCHEMBL16926702 0.80 ALDH1A1 (0.41) HSD17B10DYRK1AALDH1A1PKMGAA
SCHEMBL13804028 0.68
SCHEMBL2034476 0.63 L3MBTL1 (0.44) KMT2AMEN1ALDH1A1HPGDGAA
SCHEMBL24775832 0.63
SCHEMBL16680549 0.63 TDP1 (0.47) HSD17B10TDP1KMT2AMEN1ADORA3
SCHEMBL13905148 0.63 CYP1A2 (0.50) HSD17B10TDP1KMT2AMEN1ALDH1A1
SCHEMBL10263899 0.63 SMN1; SMN2 (0.35) HSD17B10TDP1KMT2AMEN1ALDH1A1
SCHEMBL18131322 0.63 TDP1 (0.52) HSD17B10TDP1KMT2AMEN1DYRK1A
SCHEMBL12133 0.63 HSD17B10 (1.00) HSD17B10TDP1KMT2AMEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8106064-B2 administering 1-[2-Chloro-6-(4-methoxy-benzylamino)-pyridin-4-ylmethyl]-6-(3-[1,3]dioxolan-2-yl-5-methyl-phenoxy)-5-isopropyl-1H-pyrimidine-2,4-dione viricide to treat AIDS KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2012-01-31 US disclosed
US-20080070920-A1 Novel HIV reverse transcriptase inhibitors KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2008-03-20 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 (1 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-20080070920-A1 Novel HIV reverse transcriptase inhibitors POLR2E, POLRMT, POLR2H HSD17B10 517/4885TDP1 147/4885KMT2A 1865/4885

“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.