SCHEMBL3084733

SCHEMBL3084733

COC(=O)c1cccc(Cn2c(C)nc3ccccc32)c1

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 5/20 0.62
TBXA2R P21731 5/20 0.62
PTGDR2 Q9Y5Y4 1/20 0.60
TNF P01375 1/20 0.59
HDAC1 Q13547 1/20 0.59
HDAC6 Q9UBN7 1/20 0.59
KDM4E B2RXH2 1/20 0.56
CFTR P13569 2/20 0.55
MAPK10 P53779 1/20 0.54
MAPT P10636 1/20 0.53
GALR3 O60755 2/20 0.52
NR2F2 P24468 2/20 0.52
RAB9A P51151 1/20 0.52
LMNA P02545 1/20 0.51
TSHR P16473 1/20 0.51
HTT P42858 1/20 0.51

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
SCHEMBL7498414 0.87 KDM4E (0.53) KDM4E
SCHEMBL3668391 0.86 HDAC1 (0.73) DRD2TBXA2RPTGDR2TNFHDAC1
SCHEMBL7498850 0.86 TP53 (0.59) DRD2TBXA2RKDM4EMAPK10MAPT
SCHEMBL7500640 0.84 LMNA (0.51) DRD2TBXA2RKDM4EMAPK10RAB9A
SCHEMBL2687919 0.82 KDM4E (0.54) DRD2TBXA2RPTGDR2KDM4EMAPK10
SCHEMBL29342743 0.82 KDM4E (0.64) KDM4EMAPT
SCHEMBL8036225 0.82 PPARG (0.65) DRD2TBXA2RHDAC1HDAC6KDM4E
SCHEMBL13186927 0.82 ALDH1A1 (0.63) DRD2TBXA2RMAPTLMNATSHR
SCHEMBL15014103 0.79 TNF (0.72) TNFHDAC1HDAC6MAPTGALR3
SCHEMBL20762704 0.79 BRD4 (0.65) DRD2TBXA2RKDM4E

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 DRD2 3787/4885TBXA2R 557/4885PTGDR2 1022/4885

“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.