SCHEMBL125648

SCHEMBL125648

O=C=Nc1cccc(C=S)c1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
CYP3A4 P08684 3/20 0.39
TRPA1 O75762 1/20 0.39
TSHR P16473 1/20 0.35
GABRA1 P14867 1/20 0.33
GABRB2 P47870 1/20 0.33
ALDH1A1 P00352 1/20 0.31
MIF P14174 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA7 P43166 1/20 0.30
CA9 Q16790 1/20 0.30
CYP1A2 P05177 1/20 0.30

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
SCHEMBL29952896 0.84 ALDH1A1 (0.47) MAPK1TDP1CYP3A4TRPA1TSHR
SCHEMBL27322677 0.81 CYP3A4 (0.43) MAPK1TDP1CYP3A4TRPA1TSHR
SCHEMBL3626567 0.81 TDP1 (0.44) MAPK1TDP1CYP3A4TRPA1TSHR
SCHEMBL30657694 0.79 NFE2L2 (0.46) MAPK1TDP1CYP3A4TRPA1ALDH1A1
SCHEMBL27873 0.79 TDP1 (0.54) MAPK1TDP1CYP3A4TRPA1TSHR
SCHEMBL10615043 0.79 TDP1 (0.54) MAPK1TDP1CYP3A4TRPA1TSHR
SCHEMBL28420288 0.78 CYP3A4 (0.41) MAPK1TDP1CYP3A4TRPA1TSHR
SCHEMBL27520419 0.78 GABRA1 (0.43) MAPK1TDP1CYP3A4TRPA1TSHR
SCHEMBL27621561 0.77 TDP1 (0.52) MAPK1TDP1CYP3A4TRPA1TSHR
SCHEMBL2779530 0.75 CYP3A4 (0.50) MAPK1TDP1CYP3A4TRPA1TSHR

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 80 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
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
EP-2172502-B1 POLYETHER-BASED POLYURETHANE FORMULATIONS FOR PRODUCING HOLOGRAPHIC MEDIA COVESTRO DEUTSCHLAND AG (DE) 2016-04-20 EP disclosed
US-9261778-B2 Layer composite consisting of a photopolymer film and an adhesive layer COVESTRO DEUTSCHLAND AG (DE) 2016-02-16 US disclosed
EP-2801094-B1 COATING COMPOUND MADE OF A PHOTOPOLYMER FILM AND AN ADHESIVE COATING COVESTRO DEUTSCHLAND AG (DE) 2015-12-23 EP disclosed
US-20150125784-A1 PHOTOPOLYMER FORMULATIONS HAVING THE ADJUSTABLE MECHANICAL MODULUS GUV COVESTRO DEUTSCHLAND AG (DE) 2015-05-07 US disclosed
US-8921012-B2 Photopolymer formulations having the adjustable mechanical modulus GUV BAYER MATERIALSCIENCE AG (DE) 2014-12-30 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 (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-20100036013-A1 PHENYL ISOCYANATE-BASED URETHANE ACRYLATES, PROCESSES FOR PRODUCING AND METHODS OF USING THE SAME GRHPR, CBR1, C1S MAPK1 681/4885TDP1 1202/4885CYP3A4 783/4885
US-20030220350-A1 Glucagon antagonists/inverse agonists GLP1R, GPR119, GCGR MAPK1 380/4885TDP1 3350/4885CYP3A4 3264/4885

“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.