SCHEMBL513776

SCHEMBL513776

C[CH]OC(=O)Nc1ccc(I)cc1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.46
CA12 O43570 2/20 0.42
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CA9 Q16790 2/20 0.42
TRPV1 Q8NER1 3/20 0.41
EPHX1 P07099 1/20 0.40
EPHX2 P34913 1/20 0.40
IDO1 P14902 1/20 0.40
FPR2 P25090 2/20 0.40
HPGD P15428 1/20 0.40
MAPT P10636 1/20 0.40
HDAC1 Q13547 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39

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
SCHEMBL514893 0.85 TDP1 (0.53) SMN1; SMN2MAPT
SCHEMBL13835692 0.85 MAPT (0.53) SMN1; SMN2CA12CA1CA2CA9
SCHEMBL514410 0.83 MAPT (0.53) SMN1; SMN2CA12CA1CA2CA9
SCHEMBL2097993 0.83 RAB9A (0.50) SMN1; SMN2MAPT
SCHEMBL482921 0.82 NAPRT (0.52) SMN1; SMN2EPHX1EPHX2HPGDMAPT
SCHEMBL514281 0.82 SMN1; SMN2 (0.67) SMN1; SMN2CA12CA1CA2CA9
SCHEMBL513489 0.78 KMT2A (0.59) SMN1; SMN2MAPT
SCHEMBL514840 0.76 EPHX2 (0.63) SMN1; SMN2TRPV1EPHX2HPGDMAPT
SCHEMBL514280 0.76 CA12 (0.45) SMN1; SMN2CA12CA1CA2CA9
SCHEMBL718380 0.76 CYP17A1 (0.52) SMN1; SMN2CA12CA1CA9TRPV1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023210623-A1 HALOALKYL SULFONE ANILIDE COMPOUND AND HERBICIDE CONTAINING SAME 株式会社エス・ディー・エス バイオテック 2023-11-02 WO disclosed
WO-2014184070-A1 MIXTURES OF HALOALKYLSULFONANILIDE DERIVATIVES AND HERBICIDES SYNGENTA LIMITED (GB) 2014-11-20 WO disclosed
WO-2014184071-A1 MIXTURES OF HALOALKYLSULFONANILIDE DERIVATIVES AND HERBICIDES SYNGENTA LIMITED (GB) 2014-11-20 WO disclosed
EP-2420493-A1 HALOALKYLSULFONANILIDE DERIVATIVE Nissan Chemical Industries, Ltd. (JP) 2012-02-22 EP disclosed
US-20120029187-A1 HALOALKYLSULFONANILIDE DERIVATIVE NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2012-02-02 US disclosed
EP-2336104-A1 ORTHO-SUBSTITUTED HALOALKYLSULFONANILIDE DERIVATIVE AND HERBICIDE Nissan Chemical Industries, Ltd. (JP) 2011-06-22 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-20120029187-A1 HALOALKYLSULFONANILIDE DERIVATIVE CBR3, CBR1, HDHD5 SMN1; SMN2 4115/4885CA12 1245/4885CA1 1364/4885

“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.