SCHEMBL359646

SCHEMBL359646

Cn1cc(C(=O)Nc2ccc(S(N)(=O)=O)cc2)cn1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 7/20 0.61
CA2 P00918 7/20 0.61
CA9 Q16790 5/20 0.57
CA12 O43570 4/20 0.57
DHX9 Q08211 1/20 0.57
ALDH1A1 P00352 1/20 0.56
LMNA P02545 1/20 0.56
KMT2A Q03164 5/20 0.56
MEN1 O00255 4/20 0.56
MAPT P10636 2/20 0.56
NPSR1 Q6W5P4 1/20 0.56
PSMD14 O00487 1/20 0.56
POLB P06746 1/20 0.56
RECQL P46063 1/20 0.56
CACNA1B Q00975 1/20 0.56
APBA1 Q02410 1/20 0.56
CTDSP1 Q9GZU7 1/20 0.56
SAE1 Q9UBE0 1/20 0.56
UBA2 Q9UBT2 1/20 0.56
EGFR P00533 1/20 0.52

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
SCHEMBL360460 0.85 DHX9 (0.69) CA1CA2CA9CA12DHX9
SCHEMBL357665 0.82 KMT2A (0.64) CA1CA2CA9CA12ALDH1A1
SCHEMBL30216595 0.80 SMN1; SMN2 (0.64) DHX9ALDH1A1LMNAKMT2AMEN1
SCHEMBL374330 0.80 DHX9 (0.65) DHX9ALDH1A1LMNAMAPTEGFR
SCHEMBL6819178 0.75 NAMPT (0.57) DHX9ALDH1A1LMNAMAPTROCK1
SCHEMBL13980021 0.74 CA1 (0.84) CA1CA2CA9CA12KMT2A
SCHEMBL6225517 0.74 CA1 (0.84) CA1CA2CA9CA12KMT2A
SCHEMBL31582743 0.73 LMNA (0.56) DHX9ALDH1A1LMNAMAPTEGFR
SCHEMBL8422583 0.73 CA2 (1.00) CA1CA2CA9CA12KMT2A
SCHEMBL29764345 0.73 CCNC (0.64) CA1CA2CA9CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8318750-B2 Organic compounds NOVARTIS AG (NL) 2012-11-27 US disclosed
US-8318750-B2 Organic compounds NOVARTIS AG (NL) 2012-11-27 US disclosed
US-8258141-B2 Organic compounds NOVARTIS AG (CH) 2012-09-04 US disclosed
US-8258141-B2 Organic compounds NOVARTIS AG (CH) 2012-09-04 US disclosed
EP-2013211-B1 PURINE DERIVATIVES FOR USE AS ADENOSIN A2A RECEPTOR AGONISTS NOVARTIS AG (CH) 2012-03-14 EP disclosed
US-20120004212-A1 ORGANIC COMPOUNDS NOVARTIS AG 2012-01-05 US disclosed
US-20120004212-A1 ORGANIC COMPOUNDS NOVARTIS AG 2012-01-05 US disclosed
US-20120004247-A1 ORGANIC COMPOUNDS NOVARTIS AG 2012-01-05 US disclosed
US-20120004247-A1 ORGANIC COMPOUNDS NOVARTIS AG 2012-01-05 US disclosed
US-20100286126-A1 Organic Compounds NOVARTIS AG (CH) 2010-11-11 US disclosed
US-20100286126-A1 Organic Compounds NOVARTIS AG (CH) 2010-11-11 US disclosed
WO-2007121920-A2 PURINE DERIVATIVES FOR USE AS ADENOSIN A2A RECEPTOR AGONISTS NOVARTIS AG (CH) 2007-11-01 WO 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 (3 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-20100286126-A1 Organic Compounds CYP3A43, SLCO1B3, CYP2C19 CA1 3204/4885CA2 2138/4885CA9 869/4885
US-20120004212-A1 ORGANIC COMPOUNDS CYP3A43, SLCO1B3, CYP2C19 CA1 3204/4885CA2 2138/4885CA9 869/4885
US-20120004247-A1 ORGANIC COMPOUNDS CYP3A43, SLCO1B3, CYP2C19 CA1 3204/4885CA2 2138/4885CA9 869/4885

“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.