SCHEMBL514893

SCHEMBL514893

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

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.53
POLB P06746 1/20 0.52
TGM2 P21980 1/20 0.52
NPC1 O15118 5/20 0.50
RAB9A P51151 5/20 0.50
SMN1; SMN2 Q16637 2/20 0.49
NMT1 P30419 1/20 0.49
MAPT P10636 3/20 0.47
DDAH1 O94760 1/20 0.47
ALDH1A1 P00352 1/20 0.47
KIF11 P52732 1/20 0.47
KDM4E B2RXH2 1/20 0.47

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
SCHEMBL13835692 0.85 MAPT (0.53) TDP1POLBNPC1RAB9ASMN1; SMN2
SCHEMBL513776 0.85 SMN1; SMN2 (0.46) SMN1; SMN2MAPT
SCHEMBL30721815 0.85 TDP1 (0.53) TDP1POLBTGM2NPC1RAB9A
SCHEMBL514410 0.83 MAPT (0.53) TDP1POLBNPC1RAB9ASMN1; SMN2
SCHEMBL12994621 0.83 TGM2 (0.59) TDP1POLBTGM2NPC1RAB9A
SCHEMBL2097993 0.83 RAB9A (0.50) POLBTGM2NPC1RAB9ASMN1; SMN2
SCHEMBL482921 0.82 NAPRT (0.52) POLBTGM2NPC1RAB9ASMN1; SMN2
SCHEMBL514571 0.79 SMN1; SMN2 (0.69) TDP1POLBTGM2NPC1RAB9A
SCHEMBL513489 0.78 KMT2A (0.59) POLBTGM2NPC1RAB9ASMN1; SMN2
SCHEMBL514840 0.76 EPHX2 (0.63) SMN1; SMN2MAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 TDP1 3903/4885POLB 4117/4885TGM2 4271/4885

“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.