SCHEMBL3103391

SCHEMBL3103391

OCc1cnn(Cc2ccc(Cl)cc2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.54
HSD17B10 Q99714 2/20 0.51
KCNH2 Q12809 1/20 0.51
KDM4E B2RXH2 3/20 0.48
ALDH1A1 P00352 2/20 0.48
HTT P42858 2/20 0.47
KMT2A Q03164 4/20 0.44
TSHR P16473 1/20 0.44
MAPK1 P28482 1/20 0.44
MAPT P10636 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
MEN1 O00255 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
LMNA P02545 3/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
POLB P06746 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
SMYD2 Q9NRG4 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
SCHEMBL3085851 0.84 LMNA (0.61) HSD17B10KCNH2KDM4EALDH1A1HTT
SCHEMBL2821950 0.84 HSD17B10 (0.43) HSD17B10KCNH2KDM4EALDH1A1HTT
SCHEMBL1244019 0.84 L3MBTL1 (0.61) HSD17B10TSHRL3MBTL1POLBTDP1
SCHEMBL3092486 0.84 KCNH2 (0.53) NOTUMHSD17B10KCNH2KDM4EALDH1A1
SCHEMBL15661558 0.84 HSD17B10 (0.66) NOTUMHSD17B10KDM4EALDH1A1HTT
SCHEMBL3085028 0.83 GAA (0.55) HSD17B10KMT2AMAPTMEN1LMNA
SCHEMBL18235821 0.83 KMT2A (0.66) HSD17B10KCNH2KDM4EALDH1A1HTT
SCHEMBL19090081 0.82 KCNH2 (0.55) NOTUMHSD17B10KCNH2KDM4EALDH1A1
SCHEMBL2818945 0.81 L3MBTL1 (0.63) HSD17B10KCNH2L3MBTL1
SCHEMBL20758125 0.81 HSD17B10 (0.67) NOTUMHSD17B10KCNH2KDM4EALDH1A1

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 7 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
CN-101784520-B Novel malonic acid sulfonamide derivative and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORP 2014-07-02 CN 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
US-4151293-A MITICIDES ABBOTT LABORATORIES (US) 1979-04-24 US 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 NOTUM 1513/4885HSD17B10 561/4885KCNH2 1357/4885

“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.