SCHEMBL514894

SCHEMBL514894

[CH2]OC(=O)N(C)c1ccc(C)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.49
MAPT P10636 3/20 0.49
ALDH1A1 P00352 5/20 0.46
RAB9A P51151 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
TSHR P16473 2/20 0.43
HSD17B1 P14061 3/20 0.42
HSD17B2 P37059 3/20 0.42
LMNA P02545 4/20 0.41
HTT P42858 4/20 0.41
NPSR1 Q6W5P4 3/20 0.41
LIPE Q05469 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
GAA P10253 1/20 0.39
PKM P14618 2/20 0.38
ATM Q13315 2/20 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
SCHEMBL2090068 0.82 ALDH1A1 (0.41) SMN1; SMN2MAPTALDH1A1RAB9ACYP1A2
SCHEMBL514411 0.82 CYP3A4 (0.45) SMN1; SMN2MAPTALDH1A1RAB9ACYP1A2
SCHEMBL513777 0.82 APP (0.38) SMN1; SMN2MAPTRAB9ATSHRLMNA
SCHEMBL15161225 0.82 ALDH1A1 (0.51) SMN1; SMN2MAPTALDH1A1RAB9ACYP1A2
SCHEMBL514386 0.82 SMN1; SMN2 (0.53) SMN1; SMN2ALDH1A1RAB9ALMNANPSR1
SCHEMBL7282448 0.81 NPC1 (0.47) SMN1; SMN2MAPTALDH1A1RAB9ATSHR
SCHEMBL2091771 0.79 NOX1 (0.46) SMN1; SMN2MAPTALDH1A1RAB9ACYP1A2
SCHEMBL9136344 0.78 LMNA (0.62) SMN1; SMN2MAPTALDH1A1RAB9ACYP1A2
SCHEMBL14384381 0.77 PAX8 (0.50) SMN1; SMN2MAPTALDH1A1RAB9ACYP1A2
SCHEMBL6631039 0.77 ALDH1A1 (0.55) SMN1; SMN2MAPTALDH1A1RAB9ATSHR

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 SMN1; SMN2 4115/4885MAPT 4824/4885ALDH1A1 1574/4885

“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.