SCHEMBL12060955

SCHEMBL12060955

CNC(=O)Nc1ccc(OC)c(S(N)(=O)=O)c1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 1/20 0.56
▸ KMT2A Q03164 3/20 0.55
▸ PKM P14618 1/20 0.55
▸ TDP1 Q9NUW8 1/20 0.55
▸ MEN1 O00255 2/20 0.54
▸ CASR P41180 1/20 0.52
▸ KLK7 P49862 1/20 0.50
▸ ALDH1A1 P00352 1/20 0.50
▸ MAPT P10636 2/20 0.49
▸ CA2 P00918 4/20 0.47
▸ CA12 O43570 3/20 0.47
▸ CA1 P00915 3/20 0.47
▸ CA9 Q16790 3/20 0.47
▸ P2RX4 Q99571 1/20 0.46
▸ CA4 P22748 1/20 0.45
▸ CA7 P43166 1/20 0.45

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
SCHEMBL12049675 0.87 SMN1; SMN2 (0.51) HTTKMT2AMEN1CASRALDH1A1
SCHEMBL14350895 0.80 KMT2A (0.67) KMT2AMEN1ALDH1A1MAPT
SCHEMBL14289782 0.79 KMT2A (0.58) HTTKMT2AMEN1ALDH1A1CA2
SCHEMBL29724988 0.79 CA1 (0.47) HTTKMT2ATDP1MEN1ALDH1A1
SCHEMBL15012306 0.79 CA1 (0.47) HTTKMT2ATDP1MEN1ALDH1A1
SCHEMBL14289775 0.77 PKM (0.70) KMT2APKMTDP1MEN1KLK7
SCHEMBL13145698 0.77 WDR5 (0.48) HTTKMT2AMEN1ALDH1A1MAPT
SCHEMBL11754054 0.76 SMN1; SMN2 (0.63) HTTKMT2APKMMEN1ALDH1A1
SCHEMBL5722111 0.75 KMT2A (0.56) KMT2AMEN1ALDH1A1CA2CA12
SCHEMBL13180237 0.75 KMT2A (0.50) HTTKMT2AMEN1ALDH1A1MAPT

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-8071565-B2 Purine derivatives as a2a agonists NOVARTIS AG (CH) 2011-12-06 — — US disclosed
US-20100240680-A1 Purine derivatives as a2a agonists NOVARTIS AG (CH) 2010-09-23 — — US disclosed
EP-1889846-A1 Purine derivatives as A2a agonists Novartis AG (CH) 2008-02-20 — — EP 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-20100240680-A1 Purine derivatives as a2a agonists ADORA2A, ADORA1, ADORA3 HTT 4314/4885KMT2A 4032/4885PKM 2516/4885

“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.

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