SCHEMBL12435932

SCHEMBL12435932

COc1cc(SC(=O)c2ccc(CO)c(NC(C)=O)c2)cc(OC)c1OC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.45
MAPT P10636 5/20 0.45
ALDH1A1 P00352 5/20 0.45
KMT2A Q03164 4/20 0.45
HTT P42858 1/20 0.45
PDE5A O76074 1/20 0.43
PDE4A P27815 1/20 0.43
PDE1A P54750 1/20 0.43
PDE1B Q01064 1/20 0.43
PDE4B Q07343 1/20 0.43
PDE4C Q08493 1/20 0.43
PDE4D Q08499 1/20 0.43
PDE3B Q13370 1/20 0.43
PDE1C Q14123 1/20 0.43
PDE3A Q14432 1/20 0.43
ABCB1 P08183 1/20 0.42
ADORA3 P0DMS8 1/20 0.40
PTK2 Q05397 1/20 0.40
TP53 P04637 2/20 0.40
RXFP1 Q9HBX9 1/20 0.40

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
SCHEMBL12435912 0.89 HTT (0.44) LMNAMAPTALDH1A1KMT2AHTT
SCHEMBL12435927 0.88 LMNA (0.43) LMNAMAPTALDH1A1KMT2AHTT
SCHEMBL17507543 0.87 MAPT (0.50) LMNAMAPTALDH1A1KMT2AHTT
SCHEMBL12435921 0.86 LMNA (0.43) LMNAMAPTALDH1A1KMT2AHTT
SCHEMBL12435926 0.86 LMNA (0.41) LMNAMAPTALDH1A1KMT2AHTT
SCHEMBL12435916 0.82 ATM (0.54) LMNAMAPTALDH1A1KMT2AHTT
SCHEMBL12435917 0.81 MAPT (0.44) LMNAMAPTALDH1A1KMT2AHTT
SCHEMBL12435914 0.81 KMT2A (0.46) LMNAMAPTALDH1A1KMT2APDE5A
SCHEMBL12435906 0.81 LMNA (0.49) LMNAMAPTALDH1A1KMT2AHTT
SCHEMBL2364037 0.76 MAPT (0.49) LMNAMAPTALDH1A1KMT2AHTT

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-20110178108-A1 Group of amino substituted benzoyl derivatives and their preparation and their use Institute of Medicinal Biotechnology Academy of Medical Science (CN) 2011-07-21 US disclosed
US-20110178108-A1 Group of amino substituted benzoyl derivatives and their preparation and their use Institute of Medicinal Biotechnology Academy of Medical Science (CN) 2011-07-21 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-20110178108-A1 Group of amino substituted benzoyl derivatives and their preparation and their use CUL3, APOBEC3G, BRPF3 LMNA 2812/4885MAPT 3474/4885ALDH1A1 2851/4885

“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.