SCHEMBL7613647

SCHEMBL7613647

C=CCSC(C[N+](=O)[O-])c1ccc(OC)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SERPINH1 P50454 2/20 0.56
ALDH1A1 P00352 9/20 0.43
MAPT P10636 6/20 0.43
HSP90AA1 P07900 3/20 0.43
HPGD P15428 3/20 0.43
LMNA P02545 2/20 0.43
NTSR1 P30989 1/20 0.43
CNR1 P21554 1/20 0.40
GAA P10253 4/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
KMT2A Q03164 3/20 0.39
MAPK1 P28482 3/20 0.39
NPSR1 Q6W5P4 3/20 0.39
HTT P42858 2/20 0.39
RAB9A P51151 2/20 0.39
KDM4E B2RXH2 2/20 0.39
ATM Q13315 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
AGTR1 P30556 1/20 0.39
APAF1 O14727 1/20 0.38

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
SCHEMBL7254885 0.81 SERPINH1 (0.59) SERPINH1ALDH1A1MAPTHSP90AA1HPGD
SCHEMBL7607286 0.78 SERPINH1 (0.56) SERPINH1ALDH1A1MAPTHSP90AA1HPGD
SCHEMBL7255203 0.75 SERPINH1 (0.53) SERPINH1ALDH1A1MAPTHSP90AA1HPGD
SCHEMBL7254769 0.74 SERPINH1 (0.51) SERPINH1ALDH1A1MAPTHSP90AA1HPGD
SCHEMBL7255854 0.72 SERPINH1 (0.55) SERPINH1ALDH1A1MAPTHSP90AA1HPGD
SCHEMBL7608238 0.72 CNR1 (0.41) MAPTLMNACNR1SMN1; SMN2MAPK1
SCHEMBL1984774 0.71 SERPINH1 (0.54) SERPINH1ALDH1A1MAPTHSP90AA1HPGD
SCHEMBL17470177 0.71 SERPINH1 (0.54) SERPINH1ALDH1A1MAPTHSP90AA1HPGD
SCHEMBL7254972 0.71 SERPINH1 (0.54) SERPINH1ALDH1A1MAPTHSP90AA1HPGD
SCHEMBL11524389 0.71 SERPINH1 (0.54) SERPINH1ALDH1A1MAPTHSP90AA1HPGD

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
US-20020103256-A1 Pesticidal and parasiticidal use of 1-aryl-1-(substituted thio, sulfinyl and sulfonyl)-2-nitroethane compounds AMERICAN CYANAMID COMPANY 2002-08-01 US claimed
US-6358883-B1 FOR CONTROLLING NEMATODE, INSECT AND ACARID PESTS AMERICAN CYANAMID COMPANY 2002-03-19 US claimed
EP-1000934-A2 Pesticidal and parasiticidal use of 1-aryl-1-(substituted thio, sulfinyl and sulfonyl)-2-nitroethane compounds American Cyanamid Company (US) 2000-05-17 EP claimed
US-6482962-B2 CONTACTING HELMINTH, NEMATODE, INSECT OR ACARID PESTS OR PARASITES OR THEIR FOOD SUPPLY, HABITAT OR BREEDING GROUNDS WITH A NITROETHYL DERIVATIVE BASF AKTIENGESELLSCHAFT (DE) 2002-11-19 US disclosed
US-20020103256-A1 Pesticidal and parasiticidal use of 1-aryl-1-(substituted thio, sulfinyl and sulfonyl)-2-nitroethane compounds AMERICAN CYANAMID COMPANY 2002-08-01 US disclosed
US-6358883-B1 FOR CONTROLLING NEMATODE, INSECT AND ACARID PESTS AMERICAN CYANAMID COMPANY 2002-03-19 US disclosed
EP-1000934-A2 Pesticidal and parasiticidal use of 1-aryl-1-(substituted thio, sulfinyl and sulfonyl)-2-nitroethane compounds American Cyanamid Company (US) 2000-05-17 EP 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-20020103256-A1 Pesticidal and parasiticidal use of 1-aryl-1-(substituted thio, sulfinyl and sulfonyl)-2-nitroethane compounds SULT1E1, SULT1A1, TST SERPINH1 2806/4885ALDH1A1 235/4885MAPT 4666/4885

“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.