SCHEMBL874253

SCHEMBL874253

CCC(Sc1ccc([N+](=O)[O-])cc1)C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 3/20 0.62
▸ KMT2A Q03164 5/20 0.50
▸ MAPT P10636 4/20 0.50
▸ MEN1 O00255 4/20 0.50
▸ LMNA P02545 3/20 0.50
▸ ALDH1A1 P00352 2/20 0.50
▸ NPSR1 Q6W5P4 1/20 0.50
▸ SMN1; SMN2 Q16637 3/20 0.45
▸ HPGD P15428 2/20 0.45
▸ POLB P06746 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.43
▸ MAPK1 P28482 3/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ NR2F2 P24468 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ PTGES O14684 1/20 0.42
▸ ALOX5 P09917 1/20 0.42
▸ TRPA1 O75762 1/20 0.42
▸ BCL9 O00512 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
SCHEMBL3147554 0.81 HSPB1 (0.51) HTTKMT2AMAPTMEN1ALDH1A1
SCHEMBL1747654 0.78 HTT (0.72) HTTKMT2AMAPTMEN1LMNA
SCHEMBL19501967 0.78 HTT (0.72) HTTKMT2AMAPTMEN1LMNA
SCHEMBL1931269 0.78 HTT (0.71) HTTKMT2AMAPTMEN1LMNA
SCHEMBL9099120 0.78 HTT (0.71) HTTKMT2AMAPTMEN1LMNA
SCHEMBL7393331 0.77 HTT (0.70) HTTKMT2AMAPTMEN1LMNA
SCHEMBL11097893 0.77 TDP1 (0.48) KMT2AMAPTMEN1LMNAALDH1A1
SCHEMBL874938 0.77 HTT (0.70) HTTKMT2AMAPTMEN1LMNA
SCHEMBL14117471 0.77 HTT (0.70) HTTKMT2AMAPTMEN1LMNA
SCHEMBL19501679 0.77 HTT (1.00) HTTKMT2AMAPTMEN1LMNA

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140148459-A1 MATRIX METALLOPROTEINASE INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2014-05-29 — — 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-20140148459-A1 MATRIX METALLOPROTEINASE INHIBITORS MMP9, MMP12, MMP10 HTT 4338/4885KMT2A 3501/4885MAPT 2663/4885

“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.

Send feedback