SCHEMBL125649

SCHEMBL125649

O=C=Nc1cccc(CS)c1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.44
TSHR P16473 1/20 0.44
FOLH1 Q04609 2/20 0.43
MAPK1 P28482 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
TRPA1 O75762 1/20 0.39
IDO1 P14902 2/20 0.38
GABRA1 P14867 1/20 0.37
GABRB2 P47870 1/20 0.37
CYP1A2 P05177 1/20 0.37
NOS1 P29475 7/20 0.34
NOS2 P35228 4/20 0.33
CHRNA7 P36544 3/20 0.33
NOS3 P29474 2/20 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
SCHEMBL6805641 0.84 CYP3A4 (0.47) CYP3A4TSHRMAPK1TDP1TRPA1
SCHEMBL29854874 0.84 CYP3A4 (0.57) CYP3A4TSHRMAPK1TDP1TRPA1
SCHEMBL387552 0.84 CYP3A4 (0.57) CYP3A4TSHRMAPK1TDP1TRPA1
SCHEMBL842651 0.81 MAPK1 (0.46) CYP3A4TSHRMAPK1TDP1TRPA1
SCHEMBL7019980 0.81 CYP3A4 (0.44) CYP3A4TSHRMAPK1TDP1TRPA1
SCHEMBL27278789 0.81 NOS1 (0.53) CYP3A4TSHRMAPK1TDP1NOS1
SCHEMBL31182115 0.81 CYP3A4 (0.44) CYP3A4TSHRMAPK1TDP1TRPA1
SCHEMBL28845413 0.81 NOS1 (0.49) CYP3A4TSHRMAPK1TDP1TRPA1
SCHEMBL58461 0.81 GABRA1 (0.50) CYP3A4TSHRMAPK1TDP1TRPA1
SCHEMBL1357418 0.81 CYP3A4 (0.44) CYP3A4TSHRMAPK1TDP1TRPA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8222314-B2 Phenyl isocyanate-based urethane acrylates, processes for producing and methods of using the same BAYER MATERIALSCIENCE AG (DE) 2012-07-17 US claimed
EP-2154129-A1 Phenylisocyanate based urethanacrylate with high refraction index Bayer MaterialScience AG (DE) 2010-02-17 EP claimed
EP-2154128-A1 Phenylisocyanate based urethanacrylates with high refraction index Bayer MaterialScience AG (DE) 2010-02-17 EP claimed
US-20100036013-A1 PHENYL ISOCYANATE-BASED URETHANE ACRYLATES, PROCESSES FOR PRODUCING AND METHODS OF USING THE SAME BAYER MATERIALSCIENCE AG (DE) 2010-02-11 US claimed
US-20210155599-A1 AROMATIC SUBSTITUTED ALKANE-CORE MONOMERS AND POLYMERS THEREOF FOR VOLUME BRAGG GRATINGS META PLATFORMS TECHNOLOGIES, LLC 2021-05-27 US disclosed
EP-2342249-B1 PREPOLYMER-BASED POLYURETHANE FORMULATIONS FOR PRODUCING HOLOGRAPHIC MEDIA COVESTRO DEUTSCHLAND AG (DE) 2017-10-25 EP disclosed
EP-2396359-B1 PHOTOPOLYMER COMPOUNDS AS COMPRESSIBLE FORMULATIONS COVESTRO DEUTSCHLAND AG (DE) 2017-09-27 EP disclosed
US-9454130-B2 Photopolymer formulations having the adjustable mechanical modulus GUV COVESTRO DEUTSCHLAND AG (DE) 2016-09-27 US disclosed
CN-102792377-B With adjustable mechanical modulus GuvPhotopolymer formulation of BAYER MATERIALSCIENCE AG (DE) 2016-06-01 CN disclosed
EP-2172502-B1 POLYETHER-BASED POLYURETHANE FORMULATIONS FOR PRODUCING HOLOGRAPHIC MEDIA COVESTRO DEUTSCHLAND AG (DE) 2016-04-20 EP disclosed
CN-102667936-B Method for producing holographic media BAYER MATERIALSCIENCE AG (DE) 2016-03-30 CN disclosed
US-9261778-B2 Layer composite consisting of a photopolymer film and an adhesive layer COVESTRO DEUTSCHLAND AG (DE) 2016-02-16 US disclosed
US-6875760-B2 Glucagon antagonists/inverse agonists NOVO NORDISK A/S (DK) 2005-04-05 US disclosed
US-20030220350-A1 Glucagon antagonists/inverse agonists PFIZER INC 2003-11-27 US disclosed
US-6503949-B1 Treating Type 2 diabetes, hyperglycemia, impaired glucose tolerance or obesity NORO NORDISK A/S (DK) 2003-01-07 US disclosed
EP-1183229-A1 GLUCAGON ANTAGONISTS/INVERSE AGONISTS NOVO NORDISK A/S (DK) 2002-03-06 EP disclosed
WO-2000069810-A1 GLUCAGON ANTAGONISTS/INVERSE AGONISTS NOVO NORDISK A/S (DK) 2000-11-23 WO disclosed
US-6096885-A EXHIBIT AGONIST ACTIVITY FOR CCK-A RECEPTORS THEREBY ENABLING THEM TO MODULATE THE HORMONES GASTRIN AND CHOLECYSTOKININ IN MAMMALS. GLAXO WELLCOME INC. (US) 2000-08-01 US disclosed
EP-0785944-A1 ACYL AMINO ACETAMIDE DERIVATIVES WITH AGONIST ACTIVITY FOR CCK-A RECEPTORS GLAXO WELLCOME INC. (US) 1997-07-30 EP disclosed
WO-1996011940-A1 ACYL AMINO ACETAMIDE DERIVATIVES WITH AGONIST ACTIVITY FOR CCK-A RECEPTORS GLAXO WELLCOME INC. (US) 1996-04-25 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 (3 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-20210155599-A1 AROMATIC SUBSTITUTED ALKANE-CORE MONOMERS AND POLYMERS THEREOF FOR VOLUME BRAGG GRATINGS SMAD2, ALK, SMAD3 CYP3A4 3758/4885TSHR 4511/4885FOLH1 3347/4885
US-20100036013-A1 PHENYL ISOCYANATE-BASED URETHANE ACRYLATES, PROCESSES FOR PRODUCING AND METHODS OF USING THE SAME GRHPR, CBR1, C1S CYP3A4 783/4885TSHR 2098/4885FOLH1 4684/4885
US-20030220350-A1 Glucagon antagonists/inverse agonists GLP1R, GPR119, GCGR CYP3A4 3264/4885TSHR 95/4885FOLH1 1731/4885

“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.