SCHEMBL3090463

SCHEMBL3090463

CCC(Cc1cnn(Cc2ccccn2)c1)(C(=O)O)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ERCC5 P28715 1/20 0.46
CREBBP Q92793 1/20 0.46
KDM4C Q9H3R0 1/20 0.41
SLC16A3 O15427 3/20 0.38
SLC16A1 P53985 2/20 0.38
KDM4E B2RXH2 5/20 0.38
ALDH1A1 P00352 3/20 0.38
KDM5B Q9UGL1 1/20 0.37
HDAC1 Q13547 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TAS2R8 Q9NYW2 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.35

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
SCHEMBL3091908 0.85 L3MBTL1 (0.47) ERCC5CREBBPALDH1A1HDAC1L3MBTL1
SCHEMBL3092873 0.80 HPGD (0.49) SLC16A3SLC16A1ALDH1A1NPSR1SMN1; SMN2
SCHEMBL13153133 0.80 CREBBP (0.50) ERCC5CREBBPKDM4CALDH1A1KDM5B
SCHEMBL3080718 0.80 ALDH1A1 (0.44) ERCC5CREBBPKDM4CKDM4EALDH1A1
SCHEMBL3096925 0.78 TSHR (0.41) KDM4EALDH1A1L3MBTL1NPSR1
SCHEMBL15014107 0.78 CREBBP (0.53) ERCC5CREBBPKDM4CKDM4EALDH1A1
SCHEMBL15310228 0.78 HSD17B10 (0.49) KDM4EALDH1A1L3MBTL1NPSR1SMN1; SMN2
SCHEMBL3089049 0.77 LMNA (0.50) CREBBPKDM4EALDH1A1SMN1; SMN2
SCHEMBL3097121 0.77 ALDH1A1 (0.50) KDM4EALDH1A1L3MBTL1
SCHEMBL3470605 0.77 ERCC5 (0.50) ERCC5CREBBPKDM4CKDM4EALDH1A1

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 ERCC5 4812/4885CREBBP 2134/4885KDM4C 4306/4885

“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.