SCHEMBL3096936

SCHEMBL3096936

CCC(Cc1cnn(Cc2cccc([N+](=O)[O-])c2)c1)(C(=O)O)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.49
NPSR1 Q6W5P4 3/20 0.44
LMNA P02545 2/20 0.44
MAPT P10636 3/20 0.44
ALK Q9UM73 1/20 0.43
KDM4E B2RXH2 2/20 0.42
MAPK1 P28482 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
POLB P06746 2/20 0.42
HPGD P15428 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
TDP1 Q9NUW8 1/20 0.40

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 0.83 L3MBTL1 (0.47) ALDH1A1LMNAPOLBL3MBTL1TDP1
SCHEMBL27787105 0.82 ALDH1A1 (0.53) ALDH1A1NPSR1LMNAMAPTALK
SCHEMBL3091958 0.82 ALDH1A1 (0.48) ALDH1A1NPSR1LMNAMAPTALK
SCHEMBL3093669 0.80 TGM2 (0.44) ALDH1A1LMNAKDM4EPOLBMEN1
SCHEMBL3469893 0.79 ALDH1A1 (0.48) ALDH1A1NPSR1LMNAMAPTALK
SCHEMBL15310228 0.76 HSD17B10 (0.49) ALDH1A1NPSR1LMNAMAPTKDM4E
SCHEMBL3089049 0.75 LMNA (0.50) ALDH1A1LMNAMAPTKDM4EMAPK1
SCHEMBL3096925 0.74 TSHR (0.41) ALDH1A1NPSR1LMNAMAPTKDM4E
SCHEMBL3092873 0.73 HPGD (0.49) ALDH1A1NPSR1LMNASMN1; SMN2POLB
SCHEMBL3092696 0.73 TRPM8 (0.44) ALDH1A1NPSR1LMNAMAPTALK

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 ALDH1A1 617/4885NPSR1 879/4885LMNA 3803/4885

“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.