SCHEMBL5736846

SCHEMBL5736846

Cc1nsc(NC(=O)C(C)c2ccc(O)c([N+](=O)[O-])c2)c1Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.41
MEN1 O00255 4/20 0.41
MAPT P10636 2/20 0.41
HTR1E P28566 1/20 0.41
S1PR3 Q99500 1/20 0.41
GAA P10253 3/20 0.39
ALDH1A1 P00352 3/20 0.39
HTT P42858 1/20 0.38
LMNA P02545 3/20 0.37
KCNMA1 Q12791 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.35
GRM8 O00222 3/20 0.35
GRM6 O15303 3/20 0.35
GRM4 Q14833 3/20 0.35
GRM7 Q14831 2/20 0.35
TP53 P04637 2/20 0.34
AURKB Q96GD4 1/20 0.34
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34

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
Water SCHEMBL7984015 0.97 KMT2A (0.39) KMT2AMEN1MAPTHTR1ES1PR3
Water SCHEMBL7984013 0.97 KMT2A (0.39) KMT2AMEN1MAPTHTR1ES1PR3
SCHEMBL6614428 0.87 KMT2A (0.37) KMT2AMEN1MAPTHTR1ES1PR3
SCHEMBL3042064 0.83 ALDH1A1 (0.40) KMT2AMEN1MAPTHTR1ES1PR3
SCHEMBL5736347 0.80 MAPT (0.44) KMT2AMEN1MAPTHTR1ES1PR3
SCHEMBL7231664 0.78 KMT2A (0.41) KMT2AMEN1MAPTALDH1A1HTT
Bromide SCHEMBL8001925 0.78 MAPT (0.42) KMT2AMEN1MAPTHTR1ES1PR3
SCHEMBL8001928 0.76 MAPT (0.41) KMT2AMEN1MAPTHTR1ES1PR3
SCHEMBL5734992 0.75 GAA (0.34) KMT2AMEN1MAPTGAAALDH1A1
SCHEMBL27541170 0.71 ALDH1A1 (0.51) KMT2AMEN1MAPTGAAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1686128-A2 Isothiazole derivatives and their use as pesticides Syngenta Limited (GB) 2006-08-02 EP disclosed
EP-1265892-B1 ISOTHIAZOLE DERIVATIVES AND THEIR USE AS PESTICIDES SYNGENTA LTD (GB) 2006-01-18 EP disclosed
US-6703347-B2 INSECTICIDES, FUNGICIDES, NEMATOCIDES, MOLLUSCICIDES, AND MITICIDES FOR PLANTS SYNGENTA LIMITED (GB) 2004-03-09 US disclosed
US-20030207926-A1 Isothiazole derivatives and their use as pesticides SYNGENTA LIMITED (GB) 2003-11-06 US disclosed
EP-1265892-A1 ISOTHIAZOLE DERIVATIVES AND THEIR USE AS PESTICIDES Syngenta Limited (GB) 2002-12-18 EP disclosed
WO-2001055144-A1 ISOTHIAZOLE DERIVATIVES AND THEIR USE AS PESTICIDES SYNGENTA LIMITED (GB) 2001-08-02 WO disclosed
WO-2001055139-A1 ISOTHIAZOLE DERIVATIVES AND THEIR USE AS PESTICIDES SYNGENTA LIMITED (GB) 2001-08-02 WO 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-20030207926-A1 Isothiazole derivatives and their use as pesticides CBR1, CBR3, CYP1B1 KMT2A 3057/4885MEN1 4081/4885MAPT 4775/4885

“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.