SCHEMBL3426515

SCHEMBL3426515

O=C([S])Nc1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.64
TSHR P16473 2/20 0.64
EPHX1 P07099 2/20 0.64
SMN1; SMN2 Q16637 2/20 0.64
EPHX2 P34913 1/20 0.64
CDK9 P50750 1/20 0.64
CLK4 Q9HAZ1 1/20 0.64
HSD17B10 Q99714 3/20 0.58
NAPRT Q6XQN6 1/20 0.58
ALDH1A1 P00352 5/20 0.56
TAS2R38 P59533 3/20 0.56
CYP3A4 P08684 1/20 0.56
CASP3 P42574 1/20 0.54
SENP7 Q9BQF6 1/20 0.54
GAA P10253 4/20 0.54
LMNA P02545 1/20 0.54
MEN1 O00255 1/20 0.52
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
KMT2A Q03164 1/20 0.52

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
Benzene SCHEMBL28162617 0.78 EPHX2 (0.70) TP53TSHREPHX1SMN1; SMN2EPHX2
SCHEMBL57554 0.78 SMN1; SMN2 (0.70) TP53TSHREPHX1SMN1; SMN2EPHX2
Diphenylurea SCHEMBL133103 0.78 SMN1; SMN2 (1.00) TP53TSHREPHX1SMN1; SMN2EPHX2
SCHEMBL7634 0.78 EPHX2 (0.70) TP53TSHREPHX1SMN1; SMN2EPHX2
Benzene SCHEMBL28977956 0.78 SMN1; SMN2 (0.70) TP53TSHREPHX1SMN1; SMN2EPHX2
Iodide SCHEMBL5706290 0.76 EPHX2 (0.67) TP53TSHREPHX1SMN1; SMN2EPHX2
SCHEMBL54997 0.76 EPHX2 (0.67) TP53TSHREPHX1SMN1; SMN2EPHX2
SCHEMBL11353365 0.76 EPHX2 (0.67) TP53TSHREPHX1SMN1; SMN2EPHX2
Diphenylurea SCHEMBL3037927 0.76 SMN1; SMN2 (0.94) TP53TSHREPHX1SMN1; SMN2EPHX2
Water SCHEMBL9215020 0.76 EPHX2 (0.67) TP53TSHREPHX1SMN1; SMN2EPHX2

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 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080194693-A1 Aminoacetonitrile Derivatives and Their Use for Controlling Parasites on Warm-Blooded Animals NOVARTIS AG (CH) 2008-08-14 US claimed
EP-1758849-A1 AMINOACETONITRILE DERIVATIVES AND THEIR USE FOR CONTROLLING PARASITES ON WARM-BLOODED ANIMALS Novartis AG (CH) 2007-03-07 EP claimed
WO-2005121075-A1 AMINOACETONITRILE DERIVATIVES AND THEIR USE FOR CONTROLLING PARASITES ON WARM-BLOODED ANIMALS NOVARTIS AG (CH) 2005-12-22 WO claimed
US-7642379-B2 Aminoacetonitrile derivatives and their use for controlling parasites on warm-blooded animals NOVARTIS AG (CH) 2010-01-05 US disclosed
US-20080194693-A1 Aminoacetonitrile Derivatives and Their Use for Controlling Parasites on Warm-Blooded Animals NOVARTIS AG (CH) 2008-08-14 US disclosed
EP-1758849-A1 AMINOACETONITRILE DERIVATIVES AND THEIR USE FOR CONTROLLING PARASITES ON WARM-BLOODED ANIMALS Novartis AG (CH) 2007-03-07 EP disclosed
US-20060088786-A1 Rewritable optical information recording medium, recording and reproducing methods, as well as recording and reproducing apparatus MITSUI CHEMICALS, INC. (JP) 2006-04-27 US disclosed
WO-2005121075-A1 AMINOACETONITRILE DERIVATIVES AND THEIR USE FOR CONTROLLING PARASITES ON WARM-BLOODED ANIMALS NOVARTIS AG (CH) 2005-12-22 WO disclosed
EP-1484191-A1 REWRITABLE OPTICAL INFORMATION RECORDING MEDIUM AND RECORDING/REPRODUCING METHOD, RECORDING/REPRODUCING DEVICE Sony Corporation (JP) 2004-12-08 EP disclosed
EP-0550111-B1 2-Saccharinylmethyl heterocyclic carboxylates useful as proteolytic enzyme inhibitors and pharmaceutical compositions containing them SANOFI SA (FR) 1999-04-14 EP disclosed
US-5874432-A Saccharin derivatives useful as proteolytic enzyme inhibitors and compositions and method of use thereof SANOFI (FR) 1999-02-23 US disclosed
US-5376653-A A protease enzyme inhibitor for treating degenerative diseases , respiratory system disorders, rheumatoid arthritis and pancreatitis STERLING WINTHROP INC. (US) 1994-12-27 US disclosed
US-5371074-A Use of saccharin derivatives as proteolytic enzyme inhibitors STERLING WINTHROP INC. (US) 1994-12-06 US disclosed
US-5236917-A Respiratory system disorders, antiarthritic agents STERLING WINTHROP INC. (US) 1993-08-17 US disclosed
EP-0550112-A1 2-Saccharinylmethyl aryl and aryloxy acetates useful as proteolytic enzyme inhibitors and pharmaceutical compositions contaning them STERLING WINTHROP INC. (US) 1993-07-07 EP disclosed
EP-0550111-A1 2-Saccharinylmethyl heterocyclic carboxylates useful as proteolytic enzyme inhibitors and pharmaceutical compositions containing them STERLING WINTHROP INC. (US) 1993-07-07 EP disclosed
EP-0542372-A1 2-Substituted saccharin derivative proteolytic enzyme inhibitors STERLING WINTHROP INC. (US) 1993-05-19 EP disclosed
EP-0471756-A4 SACCHARIN DERIVATIVES USEFUL AS PROTEOLYTIC ENZYME INHIBITORS AND PREPARATION THEREOF 1992-04-08 EP disclosed
EP-0471756-A1 SACCHARIN DERIVATIVES USEFUL AS PROTEOLYTIC ENZYME INHIBITORS AND PREPARATION THEREOF. STERLING WINTHROP INC (US) 1992-02-26 EP disclosed
WO-1990013549-A1 SACCHARIN DERIVATIVES USEFUL AS PROTEOLYTIC ENZYME INHIBITORS AND PREPARATION THEREOF STERLING WINTHROP INC. (US) 1990-11-15 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 (2 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-20080194693-A1 Aminoacetonitrile Derivatives and Their Use for Controlling Parasites on Warm-Blooded Animals MB, ACHE, ADORA2B TP53 3970/4885TSHR 3029/4885EPHX1 671/4885
US-20060088786-A1 Rewritable optical information recording medium, recording and reproducing methods, as well as recording and reproducing apparatus ALPG, TRPC6, GNRHR TP53 4662/4885TSHR 1237/4885EPHX1 2778/4885

“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.