SCHEMBL8534010

SCHEMBL8534010

O=[N+]([O-])c1cc(C(F)(F)F)ccc1SSc1ccc(C(F)(F)F)cc1[N+](=O)[O-]

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.62
LMNA P02545 3/20 0.62
ALDH1A1 P00352 7/20 0.56
HPGD P15428 3/20 0.56
GAA P10253 2/20 0.56
MEN1 O00255 5/20 0.53
KMT2A Q03164 5/20 0.53
CYP3A4 P08684 2/20 0.53
POLB P06746 2/20 0.53
CYP1A2 P05177 1/20 0.53
CYP2C19 P33261 1/20 0.53
ALOX15 P16050 1/20 0.53
TSHR P16473 1/20 0.53
HIF1A Q16665 1/20 0.53
TXNRD1 Q16881 1/20 0.53
TXNRD3 Q86VQ6 1/20 0.53
TXNRD2 Q9NNW7 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
THRB P10828 1/20 0.51
MAPK1 P28482 2/20 0.49

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
SCHEMBL19759816 0.91 MAPK1 (0.56) MAPTLMNAALDH1A1HPGDGAA
SCHEMBL9358644 0.82 MAPT (0.56) MAPTLMNAALDH1A1HPGDGAA
SCHEMBL6512950 0.82 TXNRD1 (0.44) MAPTLMNAALDH1A1HPGDGAA
SCHEMBL11709219 0.81 MAPT (0.69) MAPTLMNAALDH1A1HPGDGAA
SCHEMBL7240751 0.81 ALDH1A1 (0.60) MAPTLMNAALDH1A1HPGDGAA
SCHEMBL29942185 0.81 ALDH1A1 (0.60) MAPTLMNAALDH1A1HPGDGAA
SCHEMBL13883848 0.80 MAPT (0.53) MAPTLMNAALDH1A1HPGDGAA
SCHEMBL11253450 0.79 MAPT (0.59) MAPTLMNAALDH1A1HPGDGAA
SCHEMBL2158306 0.78 ALDH1A1 (0.56) MAPTLMNAALDH1A1HPGDGAA
SCHEMBL5961 0.78 ALDH1A1 (0.58) MAPTLMNAALDH1A1HPGDGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10266552-B2 Condensed heterocyclic compound having cycloalkylpyridyl group or salt thereof, agricultural and horticultural insecticide comprising the compound, and method for using the insecticide NIHON NOHYAKU CO., LTD. (JP) 2019-04-23 US disclosed
WO-2016121997-A1 FUSED HETEROCYCLIC COMPOUND HAVING CYCLOALKYLPYRIDYL GROUP OR SALT THEREOF, AND AGRICULTURAL OR HORTICULTURAL INSECTICIDE CONTAINING SAID COMPOUND AND USE METHOD THEREFOR 日本農薬株式会社 2016-08-04 WO disclosed
EP-0859757-A1 DERIVATES OF N,N-DIMETHYL-2-(ARYLTHIO)BENZYLAMINE, THEIR SALTS, METHODS OF PREPARATION AND THEIR USE IN PHARMACEUTICAL MEDICAMENTS Farmak A.S. (CZ) 1998-08-26 EP disclosed
WO-1997017325-A1 DERIVATES OF N,N-DIMETHYL-2-(ARYLTHIO)BENZYLAMINE, THEIR SALTS, METHODS OF PREPARATION AND THEIR USE IN PHARMACEUTICAL MEDICAMENTS FARMAK A.S. (CZ) 1997-05-15 WO disclosed
EP-0222576-B1 HETEROCYCLIC OXOPHTHALAZINYL ACETIC ACIDS PFIZER INC. (US) 1992-03-18 EP disclosed
US-4748280-A Certain chlorination process for preparing 2-chloro-1,1,1-(C1 -C6) PFIZER INC. (US) 1988-05-31 US disclosed
US-4723010-A Process for preparing chloromethyl thiazoles or oxazoles, and intermediates for use therein PFIZER INC. (US) 1988-02-02 US disclosed
EP-0222576-A2 Heterocyclic oxophthalazinyl acetic acids PFIZER INC. (US) 1987-05-20 EP disclosed
EP-0038459-B1 PROCESS FOR THE PREVENTION OF REVERSION DURING THE MANUFACTURE OF RUBBER VULCANISATES BAYER AG (DE) 1985-07-10 EP disclosed
US-4340695-A Vulcanization system, rubber mixture containing said system and a process of vulcanization BAYER AKTIENGESELLSCHAFT (DE) 1982-07-20 US disclosed
EP-0038459-A1 Process for the prevention of reversion during the manufacture of rubber vulcanisates BAYER AG (DE) 1981-10-28 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-10266552-B2 Condensed heterocyclic compound having cycloalkylpyridyl group or salt thereof, agricultural and horticultural insecticide comprising the compound, and method for using the insecticide DDT, HCN3, HCN1 MAPT 4116/4885LMNA 1424/4885ALDH1A1 2344/4885

“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.