SCHEMBL3096891

SCHEMBL3096891

CCOC(=O)C(Cc1cnn(Cc2ccc(Cl)cc2)c1)C(=O)N(CC)CC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.39
DRD4 P21917 1/20 0.39
HSD17B10 Q99714 2/20 0.39
KDM4E B2RXH2 4/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
MAPT P10636 3/20 0.38
LMNA P02545 3/20 0.38
HTT P42858 2/20 0.38
TSPO P30536 1/20 0.38
ALDH1A1 P00352 3/20 0.37
KCNH2 Q12809 1/20 0.37
POLB P06746 1/20 0.37
GAA P10253 2/20 0.37
HPGD P15428 1/20 0.37
NPSR1 Q6W5P4 1/20 0.36
KLKB1 P03952 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
GPR119 Q8TDV5 1/20 0.36

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
SCHEMBL3092958 0.91 GRM2 (0.41) HSD17B10KDM4ESMN1; SMN2MAPTLMNA
SCHEMBL3084436 0.90 MMP8 (0.44) LMNAALDH1A1L3MBTL1
SCHEMBL3093262 0.90 KMT2A (0.43) HSD17B10SMN1; SMN2MAPTLMNAALDH1A1
SCHEMBL3091251 0.89 HSD17B10 (0.45) HSD17B10KDM4ESMN1; SMN2MAPTLMNA
SCHEMBL3103644 0.86 ALDH1A1 (0.43) HSD17B10KDM4EMAPTLMNAALDH1A1
SCHEMBL3087842 0.82 ALDH1A1 (0.42) KDM4EMAPTLMNATSPOALDH1A1
SCHEMBL3090818 0.80 L3MBTL1 (0.43) HSD17B10MAPTHTTALDH1A1POLB
SCHEMBL3096293 0.79 NPY1R (0.43) LMNAHTTALDH1A1L3MBTL1
SCHEMBL3103910 0.79 LMNA (0.45) HSD17B10SMN1; SMN2MAPTLMNAHTT
SCHEMBL3085699 0.79 GAA (0.43) HSD17B10KDM4EMAPTLMNAALDH1A1

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 2 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

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 3787/4885DRD4 4372/4885HSD17B10 561/4885

“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.