SCHEMBL2960078

SCHEMBL2960078

CC(C)(C)c1cccc([N+](=O)[O-])c1I

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 5/20 0.48
NPSR1 Q6W5P4 1/20 0.45
TSHR P16473 4/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
GPR35 Q9HC97 2/20 0.44
HSD17B10 Q99714 1/20 0.42
NPC1 O15118 1/20 0.41
GAA P10253 1/20 0.41
MAPK1 P28482 1/20 0.41
RAB9A P51151 1/20 0.41
ALDH1A1 P00352 3/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
S100A4 P26447 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
GALR3 O60755 1/20 0.38
HTT P42858 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
SCHEMBL2972177 0.83 TDP1 (0.43) TDP1NPSR1TSHRSMN1; SMN2GPR35
SCHEMBL419987 0.80 NPSR1 (0.59) TDP1NPSR1TSHRSMN1; SMN2GPR35
SCHEMBL30486812 0.80 NPSR1 (0.59) TDP1NPSR1TSHRSMN1; SMN2GPR35
SCHEMBL1665937 0.80 TDP1 (0.61) TDP1TSHRSMN1; SMN2GPR35HSD17B10
SCHEMBL10979000 0.79 TSHR (0.58) TDP1NPSR1TSHRSMN1; SMN2GPR35
SCHEMBL15034656 0.79 TDP1 (0.67) TDP1NPSR1TSHRSMN1; SMN2GPR35
SCHEMBL11529022 0.79 TDP1 (0.50) TDP1NPSR1TSHRSMN1; SMN2GPR35
SCHEMBL2135932 0.78 GPR35 (0.64) TDP1NPSR1TSHRSMN1; SMN2GPR35
SCHEMBL17307266 0.78 TDP1 (0.48) TDP1NPSR1TSHRSMN1; SMN2GPR35
SCHEMBL11891523 0.78 TDP1 (0.67) TDP1NPSR1TSHRSMN1; SMN2GPR35

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7767625-B2 Carboxanilides as microbiocides SYNGENTA CROP PROTECTION, INC. (US) 2010-08-03 US disclosed
US-20080214532-A1 Carboxanilides as Microbiocides SYNGENTA CROP PROTECTION, INC. 2008-09-04 US disclosed
EP-1861374-A1 CARBOXANILIDES AS MICROBIOCIDES Syngeta Participations AG (CH) 2007-12-05 EP disclosed
WO-2006100039-A1 CARBOXANILIDES AS MICROBIOCIDES SYNGENTA PARTICIPATIONS AG (CH) 2006-09-28 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-20080214532-A1 Carboxanilides as Microbiocides CD14, FPR1, MPO TDP1 2473/4885NPSR1 2289/4885TSHR 4217/4885

“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.