SCHEMBL2080107

SCHEMBL2080107

CCCC(=O)c1cc(Cl)ccc1[N+](=O)[O-]

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
TSHR P16473 2/20 0.49
MAPK1 P28482 2/20 0.49
MAPT P10636 4/20 0.47
POLB P06746 1/20 0.45
KMT2A Q03164 2/20 0.45
PLA2G1B P04054 1/20 0.44
ATG4B Q9Y4P1 1/20 0.44
GAA P10253 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
HPGD P15428 1/20 0.44
CYP2C19 P33261 1/20 0.44

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
SCHEMBL2079317 0.88 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2L3MBTL1TSHRMAPK1
SCHEMBL2450846 0.83 ALDH1A1 (0.58) ALDH1A1SMN1; SMN2TSHRMAPK1MAPT
SCHEMBL20556400 0.82 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2L3MBTL1TSHRMAPK1
SCHEMBL17804319 0.82 L3MBTL1 (0.41) ALDH1A1SMN1; SMN2L3MBTL1TSHRTDP1
SCHEMBL7514141 0.81 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2TSHRMAPK1MAPT
SCHEMBL17804346 0.81 DHODH (0.44) ALDH1A1SMN1; SMN2L3MBTL1TSHRTDP1
SCHEMBL15060376 0.79 MAPT (0.54) ALDH1A1SMN1; SMN2L3MBTL1MAPK1MAPT
SCHEMBL339922 0.79 ALDH1A1 (0.57) ALDH1A1SMN1; SMN2TSHRMAPK1MAPT
SCHEMBL7096117 0.78 ALDH1A1 (0.65) ALDH1A1SMN1; SMN2L3MBTL1MAPTPOLB
SCHEMBL13753358 0.78 ALDH1A1 (0.68) ALDH1A1SMN1; SMN2TSHRMAPK1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1405852-B9 DIAMINE DERIVATIVES DAIICHI SANKYO CO LTD (JP) 2013-03-27 EP disclosed
US-7906538-B2 Parasiticides; nematocides; crop protection SCHERING-PLOUGH ANIMAL HEALTH CORPORATION (US) 2011-03-15 US disclosed
US-20080262048-A1 CONTROL OF PARASITES IN ANIMALS BY THE USE OF NOVEL TRIFLUOROMETHANESULFONANILIDE OXIME ETHER DERIVATIVES SCHERING-PLOUGH ANIMAL HEALTH CORPORATION 2008-10-23 US disclosed
EP-1799636-B1 CONTROL OF PARASITES IN ANIMALS BY THE USE OF NOVEL TRIFLUOROMETHANESULFONANILIDE OXIME ETHER DERIVATIVES SCHERING PLOUGH LTD (CH) 2008-08-27 EP disclosed
US-7312248-B2 Control of parasites in animals by the use of novel trifluoromethanesulfonanilide oxime ether derivatives SCHERING-PLOUGH ANIMAL HEALTH CORPORATION (US) 2007-12-25 US disclosed
EP-1799636-A2 CONTROL OF PARASITES IN ANIMALS BY THE USE OF NOVEL TRIFLUOROMETHANESULFONANILIDE OXIME ETHER DERIVATIVES Schering-Plough Ltd. (CH) 2007-06-27 EP disclosed
WO-2006034333-A2 CONTROL OF PARASITES IN ANIMALS BY THE USE OF NOVEL TRIFLUOROMETHANESULFONANILIDE OXIME ETHER DERIVATIVES SCHERING-PLOUGH LTD. (CH) 2006-03-30 WO disclosed
US-20060063841-A1 Parasiticides; nematocides; crop protection SCHERING-PLOUGH LTD. (CH) 2006-03-23 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 (2 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-20060063841-A1 Parasiticides; nematocides; crop protection TRHDE, DDT, EPHX1 ALDH1A1 4339/4885SMN1; SMN2 1723/4885L3MBTL1 55/4885
US-20080262048-A1 CONTROL OF PARASITES IN ANIMALS BY THE USE OF NOVEL TRIFLUOROMETHANESULFONANILIDE OXIME ETHER DERIVATIVES TRHDE, EPX, EPHX1 ALDH1A1 3635/4885SMN1; SMN2 2734/4885L3MBTL1 74/4885

“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.