SCHEMBL3097402

SCHEMBL3097402

O=C(O)C(Cc1cn(Cc2ccccc2)nn1)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 9/20 0.57
HDAC1 Q13547 1/20 0.55
NPC1 O15118 1/20 0.55
RAB9A P51151 1/20 0.55
HSP90AB1 P08238 4/20 0.54
HRH4 Q9H3N8 1/20 0.51
ALDH1A1 P00352 1/20 0.50
LMNA P02545 1/20 0.50

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
SCHEMBL13780507 0.87 CYP19A1 (0.54) CYP19A1HDAC1NPC1RAB9AHSP90AB1
SCHEMBL24665771 0.81 CYP19A1 (0.60) CYP19A1HDAC1NPC1RAB9AHSP90AB1
SCHEMBL29055930 0.81 CYP19A1 (0.60) CYP19A1HDAC1NPC1RAB9AHSP90AB1
SCHEMBL23861821 0.81 CYP19A1 (0.65) CYP19A1NPC1RAB9AHSP90AB1HRH4
SCHEMBL305197 0.80 CYP19A1 (0.49) CYP19A1HDAC1HSP90AB1ALDH1A1LMNA
SCHEMBL28676360 0.79 CYP19A1 (0.66) CYP19A1HDAC1NPC1RAB9AHSP90AB1
SCHEMBL2494737 0.79 NOTUM (0.73) CYP19A1HDAC1NPC1RAB9AHSP90AB1
SCHEMBL1838394 0.79 CYP19A1 (0.51) CYP19A1HDAC1NPC1RAB9AHSP90AB1
SCHEMBL2628008 0.79 CYP19A1 (0.52) CYP19A1HDAC1NPC1RAB9AHSP90AB1
SCHEMBL846586 0.79 CYP19A1 (0.52) CYP19A1HDAC1HSP90AB1ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2172450-B9 NOVEL MALONIC ACID SULFONAMIDE DERIVATIVE AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORP (JP) 2014-10-08 EP disclosed
EP-2172450-B1 NOVEL MALONIC ACID SULFONAMIDE DERIVATIVE AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORP (JP) 2013-10-16 EP disclosed
US-8461209-B2 Malonic acid sulfonamide derivative and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2013-06-11 US disclosed
US-20100228026-A1 NOVEL MALONIC ACID SULFONAMIDE DERIVATIVE AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-09-09 US disclosed
EP-2172450-A1 NOVEL MALONIC ACID SULFONAMIDE DERIVATIVE AND PHARMACEUTICAL USE THEREOF Mitsubishi Tanabe Pharma Corporation (JP) 2010-04-07 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-20100228026-A1 NOVEL MALONIC ACID SULFONAMIDE DERIVATIVE AND PHARMACEUTICAL USE THEREOF REN, AGTR2, AGTR1 CYP19A1 2116/4885HDAC1 1764/4885NPC1 3306/4885

“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.