SCHEMBL3096428

SCHEMBL3096428

O=C(O)C(Cc1cnn(Cc2ccc(Cl)cc2)c1)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.55
KDM4E B2RXH2 3/20 0.48
ALDH1A1 P00352 3/20 0.48
HTT P42858 2/20 0.47
TDP1 Q9NUW8 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
POLB P06746 1/20 0.46
KCNH2 Q12809 1/20 0.45
SMN1; SMN2 Q16637 5/20 0.44
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
MAPT P10636 3/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
SMYD2 Q9NRG4 1/20 0.42
LMNA P02545 6/20 0.42
PKM P14618 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
TP53 P04637 1/20 0.41

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
SCHEMBL3471108 0.88 L3MBTL1 (0.53) HSD17B10ALDH1A1HTTTDP1L3MBTL1
SCHEMBL3469650 0.87 LMNA (0.53) HSD17B10KDM4EALDH1A1HTTPOLB
SCHEMBL3091251 0.86 HSD17B10 (0.45) HSD17B10KDM4EALDH1A1HTTTDP1
SCHEMBL3470506 0.86 GAA (0.48) HSD17B10KDM4EALDH1A1TDP1L3MBTL1
SCHEMBL3469954 0.81 ATM (0.46) HSD17B10ALDH1A1HTTTDP1L3MBTL1
SCHEMBL19079154 0.80 KCNH2 (0.51) HSD17B10KDM4EALDH1A1HTTL3MBTL1
SCHEMBL3471187 0.79 DRD4 (0.49) KDM4EALDH1A1POLBMEN1KMT2A
SCHEMBL3101128 0.79 ADAMTS5 (0.46) KDM4EALDH1A1TDP1L3MBTL1POLB
SCHEMBL3103391 0.78 NOTUM (0.54) HSD17B10KDM4EALDH1A1HTTTDP1
SCHEMBL3096891 0.78 DRD2 (0.39) HSD17B10KDM4EALDH1A1HTTL3MBTL1

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-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 HSD17B10 561/4885KDM4E 3644/4885ALDH1A1 617/4885

“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.