SCHEMBL331404

SCHEMBL331404

O=C=Nc1ccc(N=C=S)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MIF P14174 1/20 0.56
CYP3A4 P08684 5/20 0.56
P2RY6 Q15077 3/20 0.56
TSHR P16473 1/20 0.56
CA1 P00915 2/20 0.54
CA2 P00918 2/20 0.54
TDP1 Q9NUW8 3/20 0.46
MAPK1 P28482 1/20 0.46
HSD17B10 Q99714 3/20 0.46
TRPA1 O75762 1/20 0.43
CYP1A2 P05177 1/20 0.40
KDM4E B2RXH2 2/20 0.39
USP2 O75604 2/20 0.39
ALDH1A1 P00352 2/20 0.39
LTA P01374 2/20 0.39
MAPT P10636 2/20 0.39
HPGD P15428 2/20 0.39
P2RX3 P56373 2/20 0.39
RAD51 Q06609 2/20 0.39
RAD1 O60671 1/20 0.39

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
SCHEMBL11697898 0.87 CYP3A4 (0.80) MIFCYP3A4P2RY6TSHRCA1
SCHEMBL331011 0.87 HSD17B10 (0.50) MIFCYP3A4P2RY6TSHRCA1
SCHEMBL15430 0.86 CYP3A4 (0.70) MIFCYP3A4P2RY6TSHRCA1
Bitoscanate SCHEMBL157128 0.86 MIF (0.72) MIFCYP3A4P2RY6TSHRCA1
Ammonia Solution, Strong SCHEMBL28239770 0.83 CYP3A4 (0.67) MIFCYP3A4P2RY6TSHRCA1
Water SCHEMBL28889229 0.83 CYP3A4 (0.67) MIFCYP3A4P2RY6TSHRCA1
SCHEMBL27741428 0.83 CYP3A4 (0.67) MIFCYP3A4P2RY6TSHRCA1
SCHEMBL28491865 0.81 HSD17B10 (0.45) MIFCYP3A4P2RY6TSHRCA1
SCHEMBL6573403 0.80 MIF (0.52) MIFCYP3A4P2RY6TSHRCA1
SCHEMBL11566585 0.79 CYP3A4 (0.56) MIFCYP3A4P2RY6TSHRCA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2452702-B1 Functionalized RGD peptidomimetics and their manufacture, and implant having a coating containing such functionalized RGD peptidomimetics BIOTRONIK AG (CH) 2015-03-04 EP claimed
US-8728496-B2 Functionalized RGD peptidomimetics and their manufacture, and implant having a coating containing such functionalized RGD peptidomimetics BIOTRONIK AG (CH) 2014-05-20 US claimed
US-20120121658-A1 FUNCTIONALIZED RGD PEPTIDOMIMETICS AND THEIR MANUFACTURE, AND IMPLANT HAVING A COATING CONTAINING SUCH FUNCTIONALIZED RGD PEPTIDOMIMETICS BIOTRONIK AG (CH) 2012-05-17 US claimed
EP-2452702-A2 Functionalized RGD peptidomimetics and their manufacture, and implant having a coating containing such functionalized RGD peptidomimetics Biotronik AG (CH) 2012-05-16 EP claimed
US-20260146189-A1 ADHESIVE COMPOSITION, THE PREPARATION METHOD AND USE THEREOF COVESTRO DEUTSCHLAND AG (DE) 2026-05-28 US disclosed
EP-4748866-A1 AQUEOUS POLYURETHANE DISPERSIONS AND APPLICATIONS THEREOF Covestro Deutschland AG (DE) 2026-05-27 EP disclosed
EP-3983466-B1 AQUEOUS POLYURETHANE DISPERSION COVESTRO DEUTSCHLAND AG (DE) 2026-02-18 EP disclosed
EP-4396248-B1 AQUEOUS POLYURETHANE-UREA DISPERSION COVESTRO DEUTSCHLAND AG (DE) 2025-08-06 EP disclosed
US-20250188215-A1 AQUEOUS POLYURETHANE DISPERSION COVESTRO DEUTSCHLAND AG (DE) 2025-06-12 US disclosed
EP-4565633-A1 ADHESIVE COMPOSITION, THE PREPARATION METHOD AND USE THEREOF Covestro Deutschland AG (DE) 2025-06-11 EP disclosed
CN-119630721-A Adhesive composition, preparation method and application thereof 科思创德国股份有限公司 2025-03-14 CN disclosed
CN-114206963-B Aqueous polyurethane dispersions 科思创德国股份有限公司 2025-02-14 CN disclosed
US-5194559-A Reacting compounds containing isocyanate and isothiocyanate groups with polyol and polythiol; colorlrss, transparent MITSUI TOATSU CHEMICALS, INC. (JP) 1993-03-16 US disclosed
US-5191055-A Polythiourethanes MITSUI TOATSU CHEMICALS, INC. (JP) 1993-03-02 US disclosed
EP-0528590-A1 Mercapto compound, its preparation process, and sulfur-containing urethane resins and lenses using the same MITSUI TOATSU CHEMICALS, Inc. (JP) 1993-02-24 EP disclosed
EP-0506315-A2 Optical urethane resins and plastic lenses comprising the same MITSUI TOATSU CHEMICALS, Inc. (JP) 1992-09-30 EP disclosed
EP-0505150-A1 Stabilizing method of isocyanate compounds and isocyanate compositions stabilized thereby MITSUI TOATSU CHEMICALS, Inc. (JP) 1992-09-23 EP disclosed
US-5087758-A Polythiourethane monomer MITSUI TOATSU CHEMICALS, INC. (JP) 1992-02-11 US disclosed
EP-0378895-A1 A mercapto compound, a high refractive index resin and lens and a process for preparing them MITSUI TOATSU CHEMICALS, Inc. (JP) 1990-07-25 EP disclosed
CN-1043498-A Mercapto compound, high refractive index resin and lens, and process for producing them MITSUI TOATSU CHEMICALS (JP) 1990-07-04 CN 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-20120121658-A1 FUNCTIONALIZED RGD PEPTIDOMIMETICS AND THEIR MANUFACTURE, AND IMPLANT HAVING A COATING CONTAINING SUCH FUNCTIONALIZED RGD PEPTIDOMIMETICS BMP2, NGLY1, ARGLU1 MIF 226/4885CYP3A4 2590/4885P2RY6 314/4885
US-20260146189-A1 ADHESIVE COMPOSITION, THE PREPARATION METHOD AND USE THEREOF PUF60, XRCC6, F7 MIF 861/4885CYP3A4 3864/4885P2RY6 2087/4885

“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.