SCHEMBL513678

SCHEMBL513678

Nc1cccc(OCC=O)c1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.58
TP53 P04637 1/20 0.58
MAOB P27338 3/20 0.53
TSHR P16473 1/20 0.50
APP P05067 1/20 0.49
ALDH1A1 P00352 2/20 0.48
POLB P06746 1/20 0.42
HSP90AA1 P07900 1/20 0.42
MAPT P10636 1/20 0.42
CASP1 P29466 1/20 0.41
RECQL P46063 1/20 0.41
ATM Q13315 1/20 0.39
LTA4H P09960 1/20 0.38
MAOA P21397 1/20 0.38
CYP1A2 P05177 1/20 0.37
AOC3 Q16853 1/20 0.36

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
SCHEMBL445250 0.81 CYP3A4 (0.58) CYP3A4TP53MAOBTSHRAPP
Hydrochloric Acid SCHEMBL4729728 0.79 CYP3A4 (0.56) CYP3A4TP53MAOBTSHRAPP
SCHEMBL12482566 0.78 NOS1 (0.48) MAOBMAOA
SCHEMBL29502076 0.77 CYP3A4 (0.69) CYP3A4TP53MAOBTSHRAPP
SCHEMBL7747989 0.77 CYP3A4 (0.69) CYP3A4TP53MAOBTSHRAPP
SCHEMBL3791936 0.77 CYP3A4 (0.69) CYP3A4TP53MAOBTSHRAPP
SCHEMBL30451644 0.77 CYP3A4 (0.69) CYP3A4TP53MAOBTSHRAPP
SCHEMBL2552483 0.77 LMNA (0.56) MAOBTSHRAPP
SCHEMBL2727598 0.77 CHRNB2 (0.50) CYP3A4APP
SCHEMBL14291570 0.77 APP (0.39) MAOBAPPMAOA

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-2014184071-A1 MIXTURES OF HALOALKYLSULFONANILIDE DERIVATIVES AND HERBICIDES SYNGENTA LIMITED (GB) 2014-11-20 WO disclosed
WO-2014184070-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 CYP3A4 2169/4885TP53 4267/4885MAOB 3755/4885

“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.