SCHEMBL3090818

SCHEMBL3090818

CCN(CC)C(=O)C(Cc1cnn(Cc2ccccc2)c1)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.43
SCD O00767 4/20 0.42
SCD5 Q86SK9 4/20 0.42
ACACB O00763 2/20 0.42
CREBBP Q92793 2/20 0.41
HDAC1 Q13547 1/20 0.40
POLB P06746 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
HDAC3 O15379 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
NCOR2 Q9Y618 1/20 0.40
ITK Q08881 1/20 0.39
CPB2 Q96IY4 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HSD17B10 Q99714 1/20 0.39
ERCC5 P28715 1/20 0.39

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
SCHEMBL3091251 0.91 HSD17B10 (0.45) L3MBTL1POLBTDP1ALDH1A1MAPT
SCHEMBL3084436 0.90 MMP8 (0.44) L3MBTL1SCDSCD5ACACBCREBBP
SCHEMBL3103910 0.90 LMNA (0.45) CREBBPALDH1A1MAPTHTTHSD17B10
SCHEMBL3100513 0.89 HPGD (0.43) SCD5ALDH1A1MAPTNPSR1
SCHEMBL3097169 0.87 ALDH1A1 (0.40) L3MBTL1SCDSCD5ACACBCREBBP
SCHEMBL3089258 0.87 L3MBTL1 (0.45) L3MBTL1SCDSCD5ALDH1A1MAPT
SCHEMBL3085699 0.87 GAA (0.43) L3MBTL1CPB2ALDH1A1MAPTHSD17B10
SCHEMBL3471108 0.86 L3MBTL1 (0.53) L3MBTL1SCDSCD5ACACBCREBBP
SCHEMBL3090710 0.82 HDAC3 (0.42) L3MBTL1HDAC1HDAC3HDAC8NCOR2
SCHEMBL3090715 0.82 HDAC3 (0.42) L3MBTL1HDAC1HDAC3HDAC8NCOR2

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 L3MBTL1 4273/4885SCD 504/4885SCD5 1181/4885

“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.