SCHEMBL4154543

SCHEMBL4154543

O=C=NS(=O)(=O)N=C=O.O=C=Nc1ccc(O)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.44
TSHR P16473 1/20 0.44
CA2 P00918 7/20 0.39
CA12 O43570 5/20 0.39
CA9 Q16790 5/20 0.39
CA7 P43166 1/20 0.39
MAPK1 P28482 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
GLO1 Q04760 1/20 0.37
TRPA1 O75762 1/20 0.35
S100B P04271 1/20 0.34
LMNA P02545 1/20 0.34
CA1 P00915 5/20 0.33
PTGS2 P35354 2/20 0.33
CYP1A2 P05177 1/20 0.33
ENPP2 Q13822 1/20 0.33
PTGS1 P23219 1/20 0.33
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL632310 0.85 CYP3A4 (0.56) CYP3A4TSHRCA2CA12CA9
SCHEMBL9795262 0.81 CYP3A4 (0.44) CYP3A4TSHRCA2CA12CA9
SCHEMBL240228 0.80 CYP3A4 (0.42) CYP3A4TSHRMAPK1TDP1TRPA1
SCHEMBL4916246 0.76 CYP3A4 (0.47) CYP3A4TSHRCA2CA12CA9
SCHEMBL4916235 0.74 CYP3A4 (0.45) CYP3A4TSHRCA2CA12CA9
SCHEMBL14261700 0.74 CYP3A4 (0.80) CYP3A4TSHRCA2MAPK1TDP1
SCHEMBL13873043 0.74 NR1H2 (0.56) CYP3A4TSHRCA2CA12CA9
SCHEMBL9795547 0.74 CYP3A4 (0.65) CYP3A4TSHRCA2CA12CA9
SCHEMBL9795282 0.74 CYP3A4 (0.38) CYP3A4TSHRMAPK1TDP1TRPA1
SCHEMBL15430 0.73 CYP3A4 (0.70) CYP3A4TSHRCA2MAPK1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1609362-B1 Non-systemic control of parasites BAYER IP GMBH (DE) 2015-03-18 EP disclosed
US-8728507-B2 Non-systemic control of parasites BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-05-20 US disclosed
US-7517535-B2 Non-systemic control of parasites BAYER ANIMAL HEALTH GMBH (DE) 2009-04-14 US disclosed
US-20080108670-A1 NON-SYSTEMIC CONTROL OF PARASITES BAYER HEALTHCARE AG (DE) 2008-05-08 US disclosed
US-20080108671-A1 NON-SYSTEMIC CONTROL OF PARASITES BAYER HEALTHCARE AG (DE) 2008-05-08 US disclosed
US-20060276517-A1 Non-systemic control of parasites BAYER HEALTHCARE AG (DE) 2006-12-07 US disclosed
EP-1609362-A2 Non-systemic control of parasites Bayer HealthCare AG (DE) 2005-12-28 EP disclosed
EP-0682869-B1 Non-systemic control of parasites BAYER HEALTHCARE AG (DE) 2005-12-21 EP disclosed
US-20050222217-A1 Non-systemic control of parasites BAYER HEALTHCARE AG (DE) 2005-10-06 US disclosed
US-6896891-B2 Non-systemic control of parasites BAYER AKTIENGESELLSCHAFT (DE) 2005-05-24 US disclosed
US-6329374-B1 CONTROLLING PARASITES SUCH AS LICE AND FLEAS BAYER AKTIENGESELLSCHAFT (DE) 2001-12-11 US disclosed
US-20010044456-A1 Antagonists/agonists of nicotinergic acetylcholine receptors in insects; imidacloprid; such as fleas, lice and flies BAYER INTELLECTUAL PROPERTY GMBH (DE) 2001-11-22 US disclosed
US-20010041723-A1 Non-systemic control of parasites BAYER INTELLECTUAL PROPERTY GMBH (DE) 2001-11-15 US disclosed
US-20010027201-A1 Non-systemic control of parasites BAYER INTELLECTUAL PROPERTY GMBH (DE) 2001-10-04 US disclosed
US-20010021716-A1 Non-systemic control of parasites BAYER INTELLECTUAL PROPERTY GMBH (DE) 2001-09-13 US disclosed
US-6232328-B1 CONTACTING FLEAS AND LIC ON A HUMAN OR ANIMALS WITH AN IMIDAZOLINIUM COMPOUND TO KILL FLIES AND INSECTS BAYER AKTIENGESELLSCHAFT (DE) 2001-05-15 US disclosed
EP-0682869-A1 Non-systemic control of parasites BAYER AG (DE) 1995-11-22 EP disclosed
US-5294445-A Animal collars BAYER AKTIENGESELLSCHAFT (DE) 1994-03-15 US disclosed
EP-0569791-A2 Shaped bodies for the control of ektoparasites on animals BAYER AG (DE) 1993-11-18 EP disclosed
EP-0528303-A1 Shaped bodies for the control of undesired organisms BAYER AG (DE) 1993-02-24 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 (8 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-20060276517-A1 Non-systemic control of parasites CHRNG, CHRNA1, CHRM3 CYP3A4 1573/4885TSHR 33/4885CA2 2405/4885
US-20080108671-A1 NON-SYSTEMIC CONTROL OF PARASITES CHRNG, CHRNA1, CHRM3 CYP3A4 1573/4885TSHR 33/4885CA2 2405/4885
US-20010021716-A1 Non-systemic control of parasites CHRNG, CHRNA1, CHRM3 CYP3A4 1573/4885TSHR 33/4885CA2 2405/4885
US-20050222217-A1 Non-systemic control of parasites CHRNG, CHRNA1, CHRM3 CYP3A4 1573/4885TSHR 33/4885CA2 2405/4885
US-20080108670-A1 NON-SYSTEMIC CONTROL OF PARASITES CHRNG, CHRNA1, CHRM3 CYP3A4 1573/4885TSHR 33/4885CA2 2405/4885
US-20010027201-A1 Non-systemic control of parasites CHRNG, CHRNA1, CHRM3 CYP3A4 1573/4885TSHR 33/4885CA2 2405/4885
US-20010044456-A1 Antagonists/agonists of nicotinergic acetylcholine receptors in insects; imidacloprid; such as fleas, lice and flies CHRNG, CHRNE, CHRNA1 CYP3A4 1238/4885TSHR 39/4885CA2 3223/4885
US-20010041723-A1 Non-systemic control of parasites CHRNG, CHRNA1, CHRM3 CYP3A4 1573/4885TSHR 33/4885CA2 2405/4885

“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.